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3,4,5-Trifluorobenzoic acid

View entire compound with spectra: 4 NMR, 4 FTIR, and 1 Raman

3,4,5-Trifluorobenzoic acid
SpectraBase Compound ID 54mcCfEZBZQ
InChI InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey VJMYKESYFHYUEQ-UHFFFAOYSA-N
Mol Weight 176.09 g/mol
Molecular Formula C7H3F3O2
Exact Mass 176.008514 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmrJuHi5cJc
Name 3,4,5-Trifluorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 332003
CAS Registry Number 121602-93-5
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3F3O2
InChI 1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey VJMYKESYFHYUEQ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006649