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6-Diethoxyphosphoryl-4-keto-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester
SpectraBase Compound ID H3tWLiTCDSH
InChI InChI=1S/C16H19N2O6PS/c1-4-23-25(21,24-5-2)13-12(15(20)22-3)14(19)18(16(26)17-13)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,17,26)
InChIKey DTYRHEKRFLKYDE-UHFFFAOYSA-N
Mol Weight 398.37 g/mol
Molecular Formula C16H19N2O6PS
Exact Mass 398.070145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQtz6ar7VNa
Name 6-Diethoxyphosphoryl-4-keto-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester
Alternate Name(s) 6-Diethoxyphosphoryl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester Methyl 6-diethoxyphosphoryl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Methyl 6-diethoxyphosphoryl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Methyl 6-diethoxyphosphoryl-4-oxo-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate
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Formula C16H19N2O6PS
InChI InChI=1S/C16H19N2O6PS/c1-4-23-25(21,24-5-2)13-12(15(20)22-3)14(19)18(16(26)17-13)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,17,26)
InChIKey DTYRHEKRFLKYDE-UHFFFAOYSA-N
Molecular Weight 398.370 g/mol
SMILES N1C(N(C(C(=C1P(=O)(OCC)OCC)C(=O)OC)=O)c1ccccc1)=S
SPLASH splash10-016s-1109000000-bb54830dd9163b915e31
Source of Spectrum E1-42-1921-6
Wiley ID 1552739