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2-[(2-amino-2-keto-ethyl)thio]benzimidazole-1-carboxylic acid phenyl ester
SpectraBase Compound ID GLyBSfkviBw
InChI InChI=1S/C16H13N3O3S/c17-14(20)10-23-15-18-12-8-4-5-9-13(12)19(15)16(21)22-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKey ADGGJSATWWGGQE-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbB56cUJj2
Name 2-[(2-amino-2-keto-ethyl)thio]benzimidazole-1-carboxylic acid phenyl ester
Alternate Name(s) 2-[(2-amino-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid phenyl ester phenyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzimidazole-1-carboxylate phenyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzimidazole-1-carboxylate
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Formula C16H13N3O3S
InChI InChI=1S/C16H13N3O3S/c17-14(20)10-23-15-18-12-8-4-5-9-13(12)19(15)16(21)22-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKey ADGGJSATWWGGQE-UHFFFAOYSA-N
Molecular Weight 327.358 g/mol
SMILES NC(CSc1[n](C(Oc2ccccc2)=O)c2c(cccc2)n1)=O
SPLASH splash10-0a6u-9310000000-d09b75192b176f8bd7c2
Wiley ID 1450837