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2-Amino-3-(trifluoromethyl)benzoic acid

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

2-Amino-3-(trifluoromethyl)benzoic acid
SpectraBase Compound ID 2vxF0V3By9B
InChI InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
InChIKey UNLVJVQEDSDPIN-UHFFFAOYSA-N
Mol Weight 205.14 g/mol
Molecular Formula C8H6F3NO2
Exact Mass 205.035063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KNMFA2sXn0a
Name 2-Amino-3-(trifluoromethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 431141
CAS Registry Number 313-12-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6F3NO2
InChI InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
InChIKey UNLVJVQEDSDPIN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98% dry basis
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-(Trifluoromethyl)anthranilic acid
Wiley ID SIAL_1HNMR_009442