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4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID BUbxcLHLwLE
InChI InChI=1S/C13H13BrN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-3-5-9(14)6-4-8/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey KJIACMLHHPJDES-UHFFFAOYSA-N
Mol Weight 341.22 g/mol
Molecular Formula C13H13BrN2O2S
Exact Mass 339.988112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKlfXcsGH9v
Name 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) 4-(4-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Methyl 4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Methyl 4-(4-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C13H13BrN2O2S
InChI InChI=1S/C13H13BrN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-3-5-9(14)6-4-8/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey KJIACMLHHPJDES-UHFFFAOYSA-N
Molecular Weight 341.223 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OC)c1ccc(cc1)Br)=S
SPLASH splash10-000i-2916000000-dda4a10171c6ae890e38
Source of Spectrum D8-324-137-3
Wiley ID 1514031