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3-Methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID AkQ44PLYjIi
InChI InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14)10(2)6(5)11/h4H,3H2,1-2H3,(H,9,14)
InChIKey IYOAWKWLGAFZCQ-UHFFFAOYSA-N
Mol Weight 214.24 g/mol
Molecular Formula C8H10N2O3S
Exact Mass 214.041213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L85FbYOAQn0
Name 3-Methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester
Alternate Name(s) 4-keto-3-methyl-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 3-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylate Ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate Ethyl 3-methyl-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylate
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Formula C8H10N2O3S
InChI InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14)10(2)6(5)11/h4H,3H2,1-2H3,(H,9,14)
InChIKey IYOAWKWLGAFZCQ-UHFFFAOYSA-N
Molecular Weight 214.239 g/mol
SMILES N1C(N(C(C(=C1)C(=O)OCC)=O)C)=S
SPLASH splash10-03xu-9650000000-c055eaaf56993a672caf
Source of Spectrum SO-0-701-11
Wiley ID 877639