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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lqT6DAWlU
Name Benzoic acid, 2-amino-3-trifluoromethyl-
Alternate Name(s) 2-Amino-3-(trifluoromethyl)benzoic acid 2-Azanyl-3-(trifluoromethyl)benzoic acid
CAS Registry Number 313-12-2
Copyright Copyright © 2020-2024 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
Molecular Weight 205.136 g/mol
SMILES OC(c1c(c(ccc1)C(F)(F)F)N)=O
SPLASH splash10-052r-2930000000-f739e02f86a545ada76e
Wiley ID 1490495