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5-ETHOXYCARBONYL-6-METHYL-2-METHYLSULFANYLPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 42agTEfH1Se
InChI InChI=1S/C9H12N2O3S/c1-4-14-8(13)6-5(2)10-9(15-3)11-7(6)12/h4H2,1-3H3,(H,10,11,12)
InChIKey VNKIDUDNEBXUHO-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C9H12N2O3S
Exact Mass 228.056863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tfAs5Ip6aL
Name 5-ETHOXYCARBONYL-6-METHYL-2-METHYLSULFANYLPYRIMIDIN-4(3H)-ONE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2O3S
InChI InChI=1S/C9H12N2O3S/c1-4-14-8(13)6-5(2)10-9(15-3)11-7(6)12/h4H2,1-3H3,(H,10,11,12)
InChIKey VNKIDUDNEBXUHO-UHFFFAOYSA-N
Literature Reference Author C.LANDREAU,D.DENIAUD,A.RELIQUET,F.RELIQUET,J.C.MESLIN
Literature Reference Citation J.HETCYCL.CHEM.,38,93(2001)
Literature Reference DOI 10.1002/jhet.5570380113
Molecular Weight 228.266 g/mol
Solvent CDCl3
Source File Reference UWLU20934