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5-Oxo-4-phenyl-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
SpectraBase Compound ID J94qiQTORg9
InChI InChI=1S/C12H11N3O3S/c1-18-11(17)9-7-10(16)15(12(19)14-13-9)8-5-3-2-4-6-8/h2-7,13H,1H3,(H,14,19)
InChIKey YBIARXWSUMVRRU-UHFFFAOYSA-N
Mol Weight 277.3 g/mol
Molecular Formula C12H11N3O3S
Exact Mass 277.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xqUXA4JRff
Name 5-Oxo-4-phenyl-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
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Formula C12H11N3O3S
InChI InChI=1S/C12H11N3O3S/c1-18-11(17)9-7-10(16)15(12(19)14-13-9)8-5-3-2-4-6-8/h2-7,13H,1H3,(H,14,19)
InChIKey YBIARXWSUMVRRU-UHFFFAOYSA-N
Molecular Weight 277.298 g/mol
SMILES N1C(=CC(N(C(N1)=S)c1ccccc1)=O)C(=O)OC
SPLASH splash10-004l-6490000000-84383f4f3d4c1256e0d3
Source of Spectrum Y-45-524-4a
Synonyms 5-Oxo-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylic acid methyl ester Methyl 5-oxo-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate Methyl 5-oxo-4-phenyl-3-thioxo-1,2-dihydro-1,2,4-triazepine-7-carboxylate Methyl 5-oxidanylidene-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate
Wiley ID 1666319