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3-(3-OXOPROPYL)-5-METHYL-2-(METHYLSULFANYL)-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 969YxvHJPHi
InChI InChI=1S/C9H12N2O2S/c1-7-6-10-9(14-2)11(8(7)13)4-3-5-12/h5-6H,3-4H2,1-2H3
InChIKey IGBKHVLRMDHQMD-UHFFFAOYSA-N
Mol Weight 212.27 g/mol
Molecular Formula C9H12N2O2S
Exact Mass 212.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Vl1pCUsp0O
Name 3-(3-OXOPROPYL)-5-METHYL-2-(METHYLSULFANYL)-PYRIMIDIN-4(3H)-ONE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2O2S
InChI InChI=1S/C9H12N2O2S/c1-7-6-10-9(14-2)11(8(7)13)4-3-5-12/h5-6H,3-4H2,1-2H3
InChIKey IGBKHVLRMDHQMD-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 212.266 g/mol
Solvent CDCl3
Source File Reference UWRU11224