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3-butyl-4-oxo-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester
SpectraBase Compound ID JaQRLjnb5EU
InChI InChI=1S/C11H16N2O3S/c1-3-5-6-13-9(14)8(7-12-11(13)17)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,17)
InChIKey XLFYGTBFSXVLEH-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C11H16N2O3S
Exact Mass 256.088164 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7L04ccHw9lk
Name 3-butyl-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
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Formula C11H15N2O3S
InChI InChI=1S/C11H16N2O3S/c1-3-5-6-13-9(14)8(7-12-11(13)17)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,17)
InChIKey XLFYGTBFSXVLEH-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 1796M
Solvent TFA
Synonyms 5-PYRIMIDINECARBOXYLIC ACID, 3-BUTYL- 4-OXO-1,2,3,4-TETRAHYDRO-2-THIOXO-, ETHYL ESTER