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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
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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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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 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
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
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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 Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 DigiLab GmbH (C) 2024
Technique GC/MS
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum ACI-57-SM10-Toluene (DOI: 10.1002/anie.201710074)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QE-21-SM9-9-1 (DOI: 10.1002/chem.201501439)
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Source of Spectrum QE-29-SM13-Table R1-4 (DOI: 10.1002/chem.202202891)
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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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JC-606-217-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RCM-2-99-Toluene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 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 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 CDCl3
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Solvent CCl4
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Solvent CDCl3
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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
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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 179418
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 155004
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
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 2010
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 inpara-andmeta-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
Electronic effects of halogen-substituted methyl groups Australian Journal of Chemistry 1980
The Journal of Organic 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
A unified correlation of substituent effects with carbon, proton and fluorine chemical shifts in aromatic and olefinic systems Organic Magnetic Resonance 1976
.alpha.-Substituted toluenes and 3-substituted propenes. Evaluation of substituent effects via carbon-13 nuclear magnetic resonance spectroscopy The Journal of Organic Chemistry 1976
Deuterium-isotopieeffekte auf die 13C-chemischen verschiebungen und kohlenstoff-deuterium kopplungskonstanten in deuterierten verbindungen Tetrahedron 1973

This compound is available in the following databases:

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

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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.

Mass Spectra of Pesticides with Retention Indices 2nd Edition

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Mass Spectra of Designer Drugs 2024

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

KnowItAll NMR Spectral Library

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KnowItAll IR, Raman, and UV-Vis Spectral Libraries

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KnowItAll Mass Spectral Library

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Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition

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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.

Food, Flavors, Fragrances, and Related Compounds: GC-MS Library

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With Wiley's Food, Flavors, Fragrances, and Related Compounds GC-MS Library, get access to GC-MS spectra with focused compound coverage including essential oils, lipids, volatile organic compounds, terpenes, herbicides, insecticides, and other compounds of importance for food, flavor, fragrance, and cannabis applications. Learn more.

Wiley Registry of Mass Spectral Data 2023

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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.

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