For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

alpha,alpha,alpha-TRIFLUORO-m-TOLUIC ACID

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

alpha,alpha,alpha-TRIFLUORO-m-TOLUIC ACID
SpectraBase Compound ID 6COaGjEKS8P
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N
Mol Weight 190.12 g/mol
Molecular Formula C8H5F3O2
Exact Mass 190.024164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KjkRXZPh5JG
Name 3-(Trifluoromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 188344
CAS Registry Number 454-92-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3O2
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-m-toluic acid 3-Carboxybenzotrifluoride
Wiley ID SIAL_1HNMR_002448