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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JULqh7VXpDP
Name 3-Amino-2,5,6-trifluorobenzoic acid
Alternate Name(s) 3-Azanyl-2,5,6-tris(fluoranyl)benzoic acid
CAS Registry Number 133622-65-8
Copyright Copyright © 2020-2024 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
Molecular Weight 191.109 g/mol
SMILES Nc1c(c(C(=O)O)c(c(c1)F)F)F
SPLASH splash10-0007-4900000000-6b69373c4a7835fa7728
Source of Spectrum AD-0-2532-0
Wiley ID 1431494