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3-Methyl-2-[(4-nitrobenzyl)thio]imidazole-4-carboxylic acid methyl ester
SpectraBase Compound ID JAUqj1X631l
InChI InChI=1S/C13H13N3O4S/c1-15-11(12(17)20-2)7-14-13(15)21-8-9-3-5-10(6-4-9)16(18)19/h3-7H,8H2,1-2H3
InChIKey NAEQYBIUMRTDCR-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C13H13N3O4S
Exact Mass 307.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kCjfgcGznC
Name 3-Methyl-2-[(4-nitrobenzyl)thio]imidazole-4-carboxylic acid methyl ester
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Formula C13H13N3O4S
InChI InChI=1S/C13H13N3O4S/c1-15-11(12(17)20-2)7-14-13(15)21-8-9-3-5-10(6-4-9)16(18)19/h3-7H,8H2,1-2H3
InChIKey NAEQYBIUMRTDCR-UHFFFAOYSA-N
Molecular Weight 307.324 g/mol
SMILES c1([n](c(SCc2ccc(N(=O)=O)cc2)nc1)C)C(=O)OC
SPLASH splash10-0zfr-4903000000-c94734df80270c237c79
Source of Spectrum AD-0-2532-0
Synonyms 3-Methyl-2-[(4-nitrophenyl)methylthio]-4-imidazolecarboxylic acid methyl ester Methyl 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]imidazole-4-carboxylate
Wiley ID 1429472