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3-Methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID 3B5sxKne4pu
InChI InChI=1S/C7H10N2O2S/c1-9-4-5(6(10)11-2)3-8-7(9)12/h3H,4H2,1-2H3,(H,8,12)
InChIKey YLOWTZNXQCLNGA-UHFFFAOYSA-N
Mol Weight 186.23 g/mol
Molecular Formula C7H10N2O2S
Exact Mass 186.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XYgn2NiM4t
Name 3-Methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) 3-Methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Methyl 3-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Methyl 3-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate
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Formula C7H10N2O2S
InChI InChI=1S/C7H10N2O2S/c1-9-4-5(6(10)11-2)3-8-7(9)12/h3H,4H2,1-2H3,(H,8,12)
InChIKey YLOWTZNXQCLNGA-UHFFFAOYSA-N
Molecular Weight 186.229 g/mol
SMILES N1C(N(CC(=C1)C(=O)OC)C)=S
SPLASH splash10-0080-4900000000-839c2bddaed11626662e
Source of Spectrum SO-0-700-10
Wiley ID 877648