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6-METHYL-2-METHYLSULFANYL-5-PHENYLPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID KF7qy55a6vK
InChI InChI=1S/C12H12N2OS/c1-8-10(9-6-4-3-5-7-9)11(15)14-12(13-8)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKey SWVJKSGDHSGDET-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbmEZ15r8KD
Name 6-METHYL-2-METHYLSULFANYL-5-PHENYLPYRIMIDIN-4(3H)-ONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-8-10(9-6-4-3-5-7-9)11(15)14-12(13-8)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKey SWVJKSGDHSGDET-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 232.300 g/mol
Solvent DMSO-D6
Source File Reference UWLU20935