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2,4,6-Trifluorobenzoic acid

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

2,4,6-Trifluorobenzoic acid
SpectraBase Compound ID AmOdiUrsxO2
InChI InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey SJZATRRXUILGHH-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 EA2JX9yQHzZ
Name 2,4,6-Trifluorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 345784
CAS Registry Number 28314-80-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3F3O2
InChI InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey SJZATRRXUILGHH-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007124