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Benzoic acid, 4-(3H-imidazo[4,5-b]pyridine-2-sulfonylmethyl)-, methyl ester
SpectraBase Compound ID 2hDrfrOV1Ro
InChI InChI=1S/C15H13N3O4S/c1-22-14(19)11-6-4-10(5-7-11)9-23(20,21)15-17-12-3-2-8-16-13(12)18-15/h2-8H,9H2,1H3,(H,16,17,18)
InChIKey JKNAXIBJUFAAAS-UHFFFAOYSA-N
Mol Weight 331.35 g/mol
Molecular Formula C15H13N3O4S
Exact Mass 331.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21CWEanqgC
Name Benzoic acid, 4-(3H-imidazo[4,5-b]pyridine-2-sulfonylmethyl)-, methyl ester
Alternate Name(s) 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfonylmethyl)benzoic acid methyl ester Methyl 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfonylmethyl)benzoate Methyl 4-[(3H-imidazo[4,5-b]pyridin-2-ylsulfonyl)methyl]benzoate
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Formula C15H13N3O4S
InChI InChI=1S/C15H13N3O4S/c1-22-14(19)11-6-4-10(5-7-11)9-23(20,21)15-17-12-3-2-8-16-13(12)18-15/h2-8H,9H2,1H3,(H,16,17,18)
InChIKey JKNAXIBJUFAAAS-UHFFFAOYSA-N
Molecular Weight 331.346 g/mol
SMILES [nH]1c2ncccc2nc1S(Cc1ccc(C(=O)OC)cc1)(=O)=O
SPLASH splash10-014j-5983000000-7f81a7bcaae1354d6dba
Wiley ID 1438277