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6-BENZYL-5-ETHYL-2-[(4'-METHOXYPHENYLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID EqaBrCu08E2
InChI InChI=1S/C22H22N2O3S/c1-3-18-19(13-15-7-5-4-6-8-15)23-22(24-21(18)26)28-14-20(25)16-9-11-17(27-2)12-10-16/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)
InChIKey HCVYANPJFKJLEK-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C22H22N2O3S
Exact Mass 394.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KS6zTHBAq4V
Name 6-BENZYL-5-ETHYL-2-[(4'-METHOXYPHENYLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O3S
InChI InChI=1S/C22H22N2O3S/c1-3-18-19(13-15-7-5-4-6-8-15)23-22(24-21(18)26)28-14-20(25)16-9-11-17(27-2)12-10-16/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)
InChIKey HCVYANPJFKJLEK-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 394.488 g/mol
Sample ID 39885
Solvent DMSO-D6