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3-(Aminosulfonyl)-4-bromobenzoic acid
SpectraBase Compound ID IAoMyMcfYq8
InChI InChI=1S/C7H6BrNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey XDNAVLYDHZTCRB-UHFFFAOYSA-N
Mol Weight 280.09 g/mol
Molecular Formula C7H6BrNO4S
Exact Mass 278.920092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BHLV5CiXyW
Name 3-(Aminosulfonyl)-4-bromobenzoic acid
Alternate Name(s) 4-Bromanyl-3-sulfamoyl-benzoic acid 4-Bromo-3-sulfamoyl-benzoic acid Benzenesulfonamide, 2-bromo-5-carboxy-
CAS Registry Number 59815-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6BrNO4S
InChI InChI=1S/C7H6BrNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey XDNAVLYDHZTCRB-UHFFFAOYSA-N
Molecular Weight 280.092 g/mol
SMILES NS(c1c(ccc(C(=O)O)c1)Br)(=O)=O
SPLASH splash10-00c1-9660000000-337b4444e009ec8d5985
Wiley ID 1469658