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3-(4-OXOBUTYL)-5-METHYL-2-(METHYLSULFANYL)-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID CemVbzk7OTR
InChI InChI=1S/C10H14N2O2S/c1-8-7-11-10(15-2)12(9(8)14)5-3-4-6-13/h6-7H,3-5H2,1-2H3
InChIKey QDIKHQPSFVMLQF-UHFFFAOYSA-N
Mol Weight 226.29 g/mol
Molecular Formula C10H14N2O2S
Exact Mass 226.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xYPpt0XXvz
Name 3-(4-OXOBUTYL)-5-METHYL-2-(METHYLSULFANYL)-PYRIMIDIN-4(3H)-ONE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14N2O2S
InChI InChI=1S/C10H14N2O2S/c1-8-7-11-10(15-2)12(9(8)14)5-3-4-6-13/h6-7H,3-5H2,1-2H3
InChIKey QDIKHQPSFVMLQF-UHFFFAOYSA-N
Literature Reference Author C.PEREZ,Y.L.JANIN,D.R.ADAMS,C.MONNERET,D.S.GRIERSON
Literature Reference Citation J.CHEM.SOC.PERKIN-1,901(1997)
Literature Reference DOI 10.1039/a605995c
Molecular Weight 226.293 g/mol
Solvent CDCl3
Source File Reference UWRU11225