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Toluene
SpectraBase Compound ID BuMrYXxCSAr
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample J. T. Baker Chemical Company
Technique NEAT
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Source of Sample Nl Industries, Inc.
Technique BETWEEN SALTS
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Technique Cell
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Source of Sample D. Parker, Department of Polymer Science and Technology, Brunel University, London, England
Technique Film from CHCl3 on CsI
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
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Source of Sample Bio-Rad Laboratories, Inc.
Technique NEAT
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique CAPILLARY CELL: NEAT
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Source of Sample Acros Organics
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 424555000
Technique Neat
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Source of Sample MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO
Technique CAPILLARY CELL: NEAT
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 270377
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
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Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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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 Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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. #34866
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Sample Sigma-Aldrich Cat. #34866
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum HE-1982-0-0
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Source of Spectrum HE-1982-0-0
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Source of Spectrum XW-142-0-0
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Source of Spectrum SWG-33-2048-0
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Source of Spectrum RCM-24-1680-Figure6(c)
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Source of Spectrum KC-0-2630-0
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Source of Spectrum KF-106-206-0
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Source of Spectrum KF-105-26-0
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Source of Spectrum JC-606-217-2
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Source of Spectrum RCM-2-99-Toluene
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Source of Spectrum Va-0-0-0
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Source of Spectrum O-32-1303-0
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Source of Spectrum O-32-1303-0
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Source of Spectrum QF-43-1418-0
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Source of Spectrum KF-97-249-0
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Source of Spectrum NP-16-4417-0
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Source of Spectrum AA-0-189-1
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Source of Spectrum AA-0-189-3
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Source of Spectrum AA-0-191-2
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Source of Spectrum AA-0-190-3
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Source of Spectrum BU-1981-44-0
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Source of Spectrum G-28-654-1
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Source of Spectrum BS-1-42-0
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Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RCM-25-SM11-Toluene
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Source of Spectrum Mohamed E. Mahmoud, et al. Journal of Saudi Chemical Society, V.14, 2010, P.101-115
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Source of Spectrum SRH-2022-3417-0
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Source of Spectrum SRH-2022-4693-0
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Source of Spectrum SRH-2022-6808-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CN110498763A
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Source of Sample U.S. Testing Company, Inc., Hoboken, New Jersey
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent CDCL3
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Solvent C3D6O acetone-d6
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Solvent CDCl3 chloroform-d
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CHCl3 chloroform
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Solvent C2H4Cl2 dichloroetha
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3 chloroform-d
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent THF
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Solvent Neat liquid
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Solvent CDCl3
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Solvent CCl4
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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 Acetone-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CCl4
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Solvent CDCl3
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Solvent Neat liquid
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent NEAT
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Solvent CDCl3
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Solvent Unknown
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent ACETONE-D6
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Solvent Unknown
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Solvent DMSO-D6
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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
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CD3OD
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Solvent Unknown
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Solvent Unknown
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 155004
Solvent CDCl3
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Solvent CCl4
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 155004
Solvent CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Nl Industries, Inc.
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Source of Sample Chem Service, Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number O-775
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Source of Sample Sigma-Aldrich Company LLC
Source of Spectrum Forensic Spectral Research
Catalog Number <a href=https://www.sigmaaldrich.com/US/en/product/sigald/179418>179418</a>
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Catalog Number 155004
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Source of Sample Acros Organics
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 424555000
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 320552
  • Toluol
  • Methylbenzene
  • Phenylmethane
  • Methylbenzol
  • Methacide
  • Methylbenzole
  • METHYLBENZOL,TOLUOL
  • PHCH3;PHENYLMETHANE
  • Benzene, methyl-
  • M-P-A 60-T
  • Poly(methylene-o-phenylene)
  • Benzene, methyl-D3-
  • BENZENE-D5, METHYL-D3-
  • Poly(o-benzyl)
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
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
15N NMR: Substituent effect analysis in para‐and meta‐substituted phenylhydrazines Magnetic Resonance in Chemistry 1994
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
Organometallic chemistry. 19. Correlation of silicon-29 and carbon-13 NMR chemical shifts in analogous compounds. Application in attempted preparation of silicenium ions Organometallics 1982
Carbon‐13 NMR spectra of DDT, its analogues and related compounds Organic Magnetic Resonance 1981
The Journal of Organic Chemistry 1980
Electronic effects of halogen-substituted methyl groups Australian Journal of Chemistry 1980
Carbon‐13 nuclear magnetic resonance spectrum of methaqualone Journal of Heterocyclic Chemistry 1978
.pi.-Inductive effects in benzyl compounds The Journal of Organic Chemistry 1977
.alpha.-Substituted toluenes and 3-substituted propenes. Evaluation of substituent effects via carbon-13 nuclear magnetic resonance spectroscopy The Journal of Organic Chemistry 1976
A unified correlation of substituent effects with carbon, proton and fluorine chemical shifts in aromatic and olefinic systems Organic Magnetic Resonance 1976
Conformation of non‐aromatic ring compounds — 92 Carbon‐13 nuclear magnetic resonance spectra of some 3‐arylglutaric anhydrides Recueil des Travaux Chimiques des Pays-Bas 1975
Deuterium-isotopieeffekte auf die 13C-chemischen verschiebungen und kohlenstoff-deuterium kopplungskonstanten in deuterierten verbindungen Tetrahedron 1973

Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition

Author: Luigi Mondello

FFNSC provides in-depth coverage of monoterpene and sesquiterpene hydrocarbons, their oxygenated derivatives, and aliphatic oxygenated compounds, essential components in flavor and fragrance research. Learn more.

KnowItAll IR, Raman, and UV-Vis Spectral Libraries

Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

Wiley Registry of Mass Spectral Data 12th Edition

Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.

KnowItAll Mass Spectral Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Mass Spectra of Pesticides with Retention Indices 2nd Edition

Author: Luigi Mondello

The Mass Spectra of Pesticides with Retention Indices, 2nd Edition, contains 1,300 spectra for pesticides classified in 20 different classes. Learn more.

Mass Spectral Library of Drugs, Poisons, Pesticides, Pollutants, and Their Metabolites 5th Edition

Author: Hans H. Maurer, Karl Pfleger, Armin A. Weber

Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

NIST/EPA/NIH Mass Spectral Library 2020

Author: NIST

NIST/EPA/NIH 2020 is a trusted source of mass spectral data and software tools. Wiley's NIST 2020 contains the complete NIST software suite as well as the various NIST libraries in NIST and native manufacturer formats to enable access to advanced search, analysis, and reporting methods found in the original and legacy manufacturer software systems. Learn more.

Sigma-Aldrich Library of Raman Spectra

Author: Wiley/Sigma-Aldrich

Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.

Mass Spectra of Designer Drugs 2022

Author: Peter Rösner

This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.

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Sigma-Aldrich Company LLC
Unknown Identification

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KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.