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3-Amino-2,5,6-trifluorobenzoic acid

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

3-Amino-2,5,6-trifluorobenzoic acid
SpectraBase Compound ID 3oGqL7Khy8M
InChI InChI=1S/C7H4F3NO2/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,11H2,(H,12,13)
InChIKey FXEMCOVVTSYFRJ-UHFFFAOYSA-N
Mol Weight 191.11 g/mol
Molecular Formula C7H4F3NO2
Exact Mass 191.019413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L8cul11h5XH
Name 3-Amino-2,5,6-trifluorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 364932
CAS Registry Number 133622-65-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4F3NO2
InChI InChI=1S/C7H4F3NO2/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,11H2,(H,12,13)
InChIKey FXEMCOVVTSYFRJ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzoic acid, 3-amino-2,5,6-trifluoro-(9CI)
Wiley ID SIAL_1HNMR_007603