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4-(([5-(4-Bromobenzoyl)-2-methylphenyl]sulfonyl)amino)benzoic acid
SpectraBase Compound ID KXkxHsbQ8qi
InChI InChI=1S/C21H16BrNO5S/c1-13-2-3-16(20(24)14-4-8-17(22)9-5-14)12-19(13)29(27,28)23-18-10-6-15(7-11-18)21(25)26/h2-12,23H,1H3,(H,25,26)
InChIKey HUTIKBSOHKQPOK-UHFFFAOYSA-N
Mol Weight 474.33 g/mol
Molecular Formula C21H16BrNO5S
Exact Mass 472.993257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jl0s2o3Ajge
Name 4-[5-(4-BROMOBENZOYL)-2-METHYLBENZENESULFONAMIDO]BENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H16BrNO5S
InChI InChI=1S/C21H16BrNO5S/c1-13-2-3-16(20(24)14-4-8-17(22)9-5-14)12-19(13)29(27,28)23-18-10-6-15(7-11-18)21(25)26/h2-12,23H,1H3,(H,25,26)
InChIKey HUTIKBSOHKQPOK-UHFFFAOYSA-N
Molecular Weight 472.9928
SMILES N(c1ccc(C(O)=O)cc1)S(=O)(=O)c1c(C)ccc(c1)C(=O)c1ccc(Br)cc1
SPLASH splash10-014l-9600000000-c85d56b908ec17a3ccc9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany