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4-oxo-3-phenyl-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-oxo-3-phenyl-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester
SpectraBase Compound ID INTQe0hXAw
InChI InChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-14-13(19)15(11(10)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,19)
InChIKey IJSLDQROXVRCQS-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLs15BorlPD
Name 4-keto-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-14-13(19)15(11(10)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,19)
InChIKey IJSLDQROXVRCQS-UHFFFAOYSA-N
Molecular Weight 276.310 g/mol
SMILES N1C(N(C(C(=C1)C(=O)OCC)=O)c1ccccc1)=S
SPLASH splash10-004r-3690000000-8145378cc1cf1a6f273d
Source of Spectrum SO-0-701-11
Synonyms 4-Oxo-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Ethyl 4-oxo-3-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Ethyl 4-oxo-3-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate
Wiley ID 877635