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6-BENZYL-5-METHYL-2-[(PHENYLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID GzK83oB0vdn
InChI InChI=1S/C20H18N2O2S/c1-14-17(12-15-8-4-2-5-9-15)21-20(22-19(14)24)25-13-18(23)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,21,22,24)
InChIKey CHFRZZZMSGFADH-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C20H18N2O2S
Exact Mass 350.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPKDMkVZaXC
Name 6-BENZYL-5-METHYL-2-[(PHENYLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N2O2S
InChI InChI=1S/C20H18N2O2S/c1-14-17(12-15-8-4-2-5-9-15)21-20(22-19(14)24)25-13-18(23)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,21,22,24)
InChIKey CHFRZZZMSGFADH-UHFFFAOYSA-N
Literature Reference Author Z.K.RAO,J.LONG,C.LI,S.S.ZHANG,M.HE,L.C.OU,Y.T.ZHENG,Y.P.HE
Literature Reference Citation MH.CHEM.,139,967(2008)
Literature Reference DOI 10.1007/s00706-007-0834-8
Molecular Weight 350.435 g/mol
Sample ID 39881
Solvent DMSO-D6