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4-(3-Chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID 9LlCWIq1rZt
InChI InChI=1S/C13H13ClN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-4-3-5-9(14)6-8/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey LENLFTNWSDALFA-UHFFFAOYSA-N
Mol Weight 296.77 g/mol
Molecular Formula C13H13ClN2O2S
Exact Mass 296.038627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYecPxoyOiG
Name 4-(3-Chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) 4-(3-Chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Methyl 4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Methyl 4-(3-chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C13H13ClN2O2S
InChI InChI=1S/C13H13ClN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-4-3-5-9(14)6-8/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey LENLFTNWSDALFA-UHFFFAOYSA-N
Molecular Weight 296.772 g/mol
SMILES N1C(NC(=C(C1c1cc(Cl)ccc1)C(=O)OC)C)=S
SPLASH splash10-000j-1980000000-8f5678feedfeaaf2e0cd
Source of Spectrum D8-324-137-3
Wiley ID 1514033