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1,4-Bis(trifluoromethyl)benzene

Compound with spectra: 17 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

1,4-Bis(trifluoromethyl)benzene
SpectraBase Compound ID 3PGgGfdVfFd
InChI InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey PDCBZHHORLHNCZ-UHFFFAOYSA-N
Mol Weight 214.11 g/mol
Molecular Formula C8H4F6
Exact Mass 214.021719 g/mol

View Spectrum of 1,4-Bis(trifluoromethyl)benzene

1H NMR Spectrum
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent CDCl3; Reference=TMS; Temperature 297K

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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1H NMR Spectrum
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 290912
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
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 290912
Solvent CDCl3

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19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent BENZENE-D6

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19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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19F NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CCl4 carbon tetrachl

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19F NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent NEAT

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19F NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

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19F NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent NEAT

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Raman Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories
Catalog Number 290912

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FTIR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 290912
Technique Neat

View Spectrum of 1,4-Bis(trifluoromethyl)benzene

FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 290912
Technique Neat

View Spectrum of 1,4-Bis(trifluoromethyl)benzene

ATR-IR Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 290912

View Spectrum of 1,4-Bis(trifluoromethyl)benzene

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum T-67-832-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-2532-0

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Vapor Phase IR Spectrum
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 290912
  • alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene
  • PARA-XYLOL-HEXAFLUORIDE
  • PARA-TRIFLUOROMETHYLBENZOTRIFLUORIDE
  • PDCBZHHORLHNCZ-UHFFFAOYSA-N
  • Benzene, 1,4-bis(trifluoromethyl)-
  • PARA-HEXAFLUOROXYLENE
4-Methylbenzotrifluoride
alpha,alpha,alpha-TRIFLUOROTOLUENE
1,4-Bis(difluoromethyl)benzene
1-(Difluoromethyl)-4-methylbenzene
ALPHA,ALPHA-DIFLUORO(PARA-TOLYL)CARBENIUM CATION
4-Trifluoromethylpyridine
1-PHENYL-1,1-ETHYLDIFLUORIDE
1-Chloro-4-(difluoromethyl)benzene
ALPHA,ALPHA-DIFLUORO(PARA-CHLOROPHENYL)CARBENIUM CATION
4-DIFLUORMETHYL-PHENOL
Title Journal or Book Year
Spin–spin coupling constants between side-chain and ring fluorine nuclei in some benzotrifluoride, benzal fluoride, and benzyl fluoride derivatives: coupling mechanisms Canadian Journal of Chemistry 1979
13C nuclear magnetic resonance studies of some fluorinated and trifluoromethylated aromatic compounds. Studies on13C–19F coupling constants J. Chem. Soc., Perkin Trans. 2 1976

This compound is available in the following databases:

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.

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.

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.

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