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Benzene
SpectraBase Compound ID IG4vKOtLCxH
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey UHOVQNZJYSORNB-UHFFFAOYSA-N
Mol Weight 78.11 g/mol
Molecular Formula C6H6
Exact Mass 78.04695 g/mol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample J. T. Baker Chemical Company
Technique NEAT
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Sample E. Merck AG, Darmstadt
Technique Film
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Sample Merck
Technique Layer between KBr
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SCHOLL
Technique LIQUID, 15 MICROMETERS
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO
Technique NEAT
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample James Hinton, Valparaiso, Florida
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample U.S. TESTING COMPANY, INC.
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154628
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154628
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample Sigma-Aldrich Cat. #12540
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Cat. #12540
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-102-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HE-1982-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum XW-141-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-101-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-105-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HC-22-725-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JC-606-217-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-30-797-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QF-45-1636-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-100-233-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KF-97-248-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-101-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-101-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-190-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-2532-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum D9-4-9-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RCM-21-2658-Benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-2103-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-2347-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-8793-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JOC-87-SM11-Figure S7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent NT/CS2
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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Solvent CCl4 carbon tetrachl
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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Solvent CDCl3 chloroform-d
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent C3D6O acetone-d6
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CF3COOH
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Solvent CDCl3
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Solvent Cyclohexane
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Solvent CCl4
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Solvent Acetone-D6
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Solvent CHCl3
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Solvent CF3COOH
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Solvent SBF5/SO2
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Solvent SBF5/SO2
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Solvent CF3COOH
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Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent NEAT
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Solvent CHCl3
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Solvent CF3COOH
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Solvent HF:SBF5=1:1
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Solvent HF:SBF5=30:1
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Solvent HF:TAF5=4.2:1
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Solvent HF:TAF5=4.9:1
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Solvent HF:TAF5=4.3:1
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Solvent HF:TAF5=30:1
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Solvent HF:TAF5=28:1
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Solvent HF
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Solvent HBr:ALBr3=3.2:1
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Solvent HBr:ALBr3=3.9:1
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Solvent HBr:ALBr3=4.0:1
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Solvent HBr:ALBr3=3.9:1
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Solvent HBr:ALBr3=3.7:1
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Solvent HBr:ALBr3=4.1:1
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Solvent HBr
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent D2O
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Solvent CDCl3
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Solvent ACETONE-D6
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Solvent DMSO-D6
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Solvent C6D6
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Solvent CD3CN
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Solvent CD3OD
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Solvent CDCl3;C~1M
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Unknown
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Solvent SO2
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Solvent SO2
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Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2
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Catalog Number 154628
Solvent CDCl3
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Source of Sample James Hinton, Valparaiso, Florida
Solvent CCl4
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Catalog Number 154628
Solvent CDCl3
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Source of Sample Chemsavers, Inc.
Source of Spectrum Forensic Spectral Research
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 154628
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich
Catalog Number 319953
  • Cyclohexatriene
  • Benzol
  • FREE-BENZENE
  • Benzene-d6
  • Benzene-1,3,5-d3
Title Journal or Book Year
1H and13C NMR data to aid the identification and quantification of residual solvents by NMR spectroscopy Magnetic Resonance in Chemistry 2005
Coordination of Alkenes and Alkynes to a Cationic d0 Zirconocene Alkoxide Complex Journal of the American Chemical Society 2003
13C chemical shifts in the aryl complexes PdX(p-RC6H4)(TMEDA). Is the PdX(TMEDA) fragment a substantial π-donor? Magnetic Resonance in Chemistry 1999
NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities The Journal of Organic Chemistry 1997
Nitrogen-15 NMR Studies on Hydrazines. 2— Substituent Effect Analysis inortho-Substituted Phenylhydrazines and Anilines Magnetic Resonance in Chemistry 1996
Interpretation of substituent‐induced chemical shifts in 13C NMR spectra of 2‐substituted norbornadienes. Influence of homoconjugation Magnetic Resonance in Chemistry 1995
15N NMR: Substituent effect analysis in para‐and meta‐substituted phenylhydrazines Magnetic Resonance in Chemistry 1994
On the intermediacy of phenyl hydrogen sulfates in the sulfonation of phenols. Sulfonation of phenol, anisole, methyl phenyl sulfate, the 2‐halogenophenols, a series of phenyl methanesulfonates together with 2,6‐dimethylaniline and its N‐methylsulfonyl derivative Recueil des Travaux Chimiques des Pays-Bas 1988
Substituent effects on the N.M.R. spectra of carboxylic acid derivatives. III. Correlation of 13C N.M.R. spectra of para substituted acetanilides and 4'-nitrophenyl 4-substituted benzoates with infrared carbonyl stretching frequencies, 1H N.M.R., rate and equilibrium data Australian Journal of Chemistry 1984
Evaluation of super acid strength from the protonation of benzene. Comparison of HF-SbF5, HF-TaF5, and HBr-AlBr3 systems The Journal of Organic Chemistry 1982
Electronic effects of halogen-substituted methyl groups Australian Journal of Chemistry 1980
Deuterium-isotopieeffekte auf die 13C-chemischen verschiebungen und kohlenstoff-deuterium kopplungskonstanten in deuterierten verbindungen Tetrahedron 1973
10.1139/cjc-76-8-1220 "" ""

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