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

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-Benzyl-4-oxo-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester
SpectraBase Compound ID 8o1SmHOUFpf
InChI InChI=1S/C14H14N2O3S/c1-2-19-13(18)11-8-15-14(20)16(12(11)17)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,20)
InChIKey ZKULOCINMZKNTG-UHFFFAOYSA-N
Mol Weight 290.34 g/mol
Molecular Formula C14H14N2O3S
Exact Mass 290.072513 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQlNIIIFuVF
Name 3-benzyl-4-oxo-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester
Source of Sample C. Whitehead, the Lilly Research Laboratories, Indianapolis, Indiana
Comments NH unobserved
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Formula C14H14N2O3S
InChI InChI=1S/C14H14N2O3S/c1-2-19-13(18)11-8-15-14(20)16(12(11)17)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,20)
InChIKey ZKULOCINMZKNTG-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 1806M
Solvent TFA
Synonyms 5-PYRIMIDINECARBOXYLIC ACID, 3-BENZYL-4-OXO-1,2,3,4-TETRAHYDRO- 2-THIOXO-, ETHYL ESTER