John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16JomnjKS3h

(accessed ).
4′-(Trifluoromethyl)acetophenone
SpectraBase Compound ID 16JomnjKS3h
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey SWKPKONEIZGROQ-UHFFFAOYSA-N
Mol Weight 190.12 g/mol
Molecular Formula C8H5F3O2
Exact Mass 190.024164 g/mol
Copyright Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company LLC
Source of Spectrum Forensic Spectral Research
Catalog Number 233188
Copyright Copyright © 2018-2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Acros Organics
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 188460010
Copyright Copyright © 2018-2020 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 196894
Copyright Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet Spectrometer= Bruker IFS 85
Copyright Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet Spectrometer= Bruker IFS 85
Copyright Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique KBr WAFER
Copyright Copyright © 2018-2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Acros Organics
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 188460010
Technique KBr1
Copyright Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Pierce Chemical Company, Rockford, Illinois
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2020 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 2002-2020 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetone
Copyright Copyright © 2017-2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Acros Organics
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 188460010
Copyright Copyright © 2017-2020 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2020 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 196894
Copyright Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F4-46-S5-3l
  • 4-(Trifluoromethyl)benzoic acid
  • alpha,alpha,alpha-Trifluoro-p-toluic acid
  • SWKPKONEIZGROQ-UHFFFAOYSA-N
  • ALPHA,ALPHA,ALPHA-TRIFLUOR-PARA-TOLYLSAEURE
  • BENZOIC ACID, 4-TRIFLUOROMETHYL-,
  • P-TOLUIC ACID, A,A,A-TRIFLUORO-,
  • 4-(Trifluoromethyl)benzoic-acid; 4-Trifluoromethylbenzoic acid; Benzoic acid, 4-(trifluoromethyl)-
  • 4-Carboxybenzotrifluoride
Title Journal or Book Year
17O NMR Spectra of Carbonyl Compounds ArCOX: Influence of Groups X on the Polarity of the Carbonyl Group Magnetic Resonance in Chemistry 1997
17O NMR spectroscopy: Effect of substituents on chemical shifts forp-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates Organic Magnetic Resonance 1984
Carbon-13-fluorine-19 coupling constants in benzotrifluorides Organic Magnetic Resonance 1977
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