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6-Methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID 9ltloN8vM2s
InChI InChI=1S/C13H13N3O4S/c1-7-10(12(17)20-2)11(15-13(21)14-7)8-3-5-9(6-4-8)16(18)19/h3-6,11H,1-2H3,(H2,14,15,21)
InChIKey CLHDCAMYENPKES-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 Jm6SBSpWK7k
Name 6-Methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) 6-Methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Methyl 6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Methyl 6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C13H13N3O4S
InChI InChI=1S/C13H13N3O4S/c1-7-10(12(17)20-2)11(15-13(21)14-7)8-3-5-9(6-4-8)16(18)19/h3-6,11H,1-2H3,(H2,14,15,21)
InChIKey CLHDCAMYENPKES-UHFFFAOYSA-N
Molecular Weight 307.324 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OC)c1ccc(N(=O)=O)cc1)=S
SPLASH splash10-000t-3093000000-6a6d5be911dce6aa773b
Source of Spectrum D8-324-137-3
Wiley ID 1514030