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1-Acetyl-5-oxo-4-phenyl-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
SpectraBase Compound ID DVFxdOlXd6I
InChI InChI=1S/C14H13N3O4S/c1-9(18)17-11(13(20)21-2)8-12(19)16(14(22)15-17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,22)
InChIKey QUFOAASLYPOPBE-UHFFFAOYSA-N
Mol Weight 319.34 g/mol
Molecular Formula C14H13N3O4S
Exact Mass 319.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ac7HQvZ24vN
Name 1-Acetyl-5-oxo-4-phenyl-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
Alternate Name(s) 1-Acetyl-5-oxo-4-phenyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylic acid methyl ester Methyl 1-acetyl-5-oxo-4-phenyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate Methyl 1-acetyl-5-oxo-4-phenyl-3-thioxo-2H-1,2,4-triazepine-7-carboxylate Methyl 1-ethanoyl-5-oxidanylidene-4-phenyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate
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Formula C14H13N3O4S
InChI InChI=1S/C14H13N3O4S/c1-9(18)17-11(13(20)21-2)8-12(19)16(14(22)15-17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,22)
InChIKey QUFOAASLYPOPBE-UHFFFAOYSA-N
Molecular Weight 319.335 g/mol
SMILES N1N(C(=CC(N(C1=S)c1ccccc1)=O)C(=O)OC)C(=O)C
SPLASH splash10-004i-9274000000-d0649ddd5e4344bd774c
Source of Spectrum Y-45-524-3a
Wiley ID 1666322