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4-(Trifluoromethyl)-benzoic-acid, methylester

Compound with spectra: 7 NMR, and 2 FTIR

4-(Trifluoromethyl)-benzoic-acid, methylester
SpectraBase Compound ID IxLlAmyDjRg
InChI InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChIKey VAZWXPJOOFSNLB-UHFFFAOYSA-N
Mol Weight 204.15 g/mol
Molecular Formula C9H7F3O2
Exact Mass 204.039814 g/mol

View Spectrum of 4-(Trifluoromethyl)-benzoic-acid, methylester

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 © 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 333441
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 CDCl3

View Spectrum of 4-(Trifluoromethyl)-benzoic-acid, methylester

17O NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE

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17O NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN

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17O NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetone

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ATR-IR 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
Catalog Number 333441

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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 333441
Solvent CDCl3

View Spectrum of 4-(Trifluoromethyl)-benzoic-acid, methylester

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 333441
Technique Neat
  • 4-TRIFLUOROMETHYL-BENZOIC_ACID-METHYLESTER
  • Methyl 4-(trifluoromethyl)benzoate
  • BENZOIC ACID, 4-(TRIFLUOROMETHYL)- METHYL ESTER,
Methyl 4-(difluoromethyl)benzoate
4-(Methoxycarbonyl)benzoyl fluoride
4'-(Trifluoromethyl)propiophenone
ATJBBAKTIJFVSV-UHFFFAOYSA-N
Methyl 4-propylbenzoate
4-ALLYL-BENZOIC-ACID-METHYLESTER
Methyl 4-(dibromomethyl)benzoate
Benzoic acid, 4-(1-methylethyl)-, methyl ester
Methyl 4-(2-cyanoethyl)benzoate
4-Carbomethoxy-benzaldehyde cis-oxime
Title Journal or Book Year
Correlation of oxygen-17 substituent-induced chemical shifts:Meta- andpara-substituted methyl benzoates Magnetic Resonance in Chemistry 1992
17O NMR spectroscopy: Effect of substituents on chemical shifts forp-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates Organic Magnetic Resonance 1984
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