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2-Amino-4-[(trifluoromethyl)sulfonyl]benzoic acid
SpectraBase Compound ID KarOH83YtLh
InChI InChI=1S/C8H6F3NO4S/c9-8(10,11)17(15,16)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
InChIKey CIYZXGKMPBFLMB-UHFFFAOYSA-N
Mol Weight 269.19 g/mol
Molecular Formula C8H6F3NO4S
Exact Mass 268.996963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BNjnvOaWo0
Name 2-Amino-4-[(trifluoromethyl)sulfonyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6F3NO4S
InChI InChI=1S/C8H6F3NO4S/c9-8(10,11)17(15,16)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
InChIKey CIYZXGKMPBFLMB-UHFFFAOYSA-N
Molecular Weight 269.194 g/mol
SMILES OC(c1ccc(cc1N)S(C(F)(F)F)(=O)=O)=O
SPLASH splash10-0gb9-8390000000-35e652d229f05b6db819
Synonyms 2-Amino-4-triflyl-benzoic acid 2-Azanyl-4-(trifluoromethylsulfonyl)benzoic acid Benzoic acid, 2-amino-4-trifluoromethanesulfonyl-
Wiley ID 1440525