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4-Chloro-2-[(pyridin-3-ylmethyl)amino]-5-sulfamoylbenzoic acid
SpectraBase Compound ID 8GpKqgzD6to
InChI InChI=1S/C13H12ClN3O4S/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(18)19)4-12(10)22(15,20)21/h1-6,17H,7H2,(H,18,19)(H2,15,20,21)
InChIKey VNJMWCGTFGSIMT-UHFFFAOYSA-N
Mol Weight 341.77 g/mol
Molecular Formula C13H12ClN3O4S
Exact Mass 341.023705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcEzv0QHwsc
Name 4-Chloro-2-[(pyridin-3-ylmethyl)amino]-5-sulfamoylbenzoic acid
Alternate Name(s) 4-Chloro-2-(3-pyridinylmethylamino)-5-sulfamoylbenzoic acid 4-Chloro-2-(pyridin-3-ylmethylamino)-5-sulfamoylbenzoic acid 4-Chloranyl-2-(pyridin-3-ylmethylamino)-5-sulfamoyl-benzoic acid
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Formula C13H12ClN3O4S
InChI InChI=1S/C13H12ClN3O4S/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(18)19)4-12(10)22(15,20)21/h1-6,17H,7H2,(H,18,19)(H2,15,20,21)
InChIKey VNJMWCGTFGSIMT-UHFFFAOYSA-N
Molecular Weight 341.769 g/mol
SMILES N(c1cc(c(cc1C(=O)O)S(=O)(=O)N)Cl)Cc1cnccc1
SPLASH splash10-0006-9851000000-b43371add7d4b1476f79
Source of Spectrum IY-2-5200-0
Wiley ID 1659983