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6-BENZYL-5-ISOPROPYL-2-[(4'-METHOXYPHENYLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID AyGg3c2qzi3
InChI InChI=1S/C23H24N2O3S/c1-15(2)21-19(13-16-7-5-4-6-8-16)24-23(25-22(21)27)29-14-20(26)17-9-11-18(28-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,24,25,27)
InChIKey ABZORBYFBPUXPA-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C23H24N2O3S
Exact Mass 408.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxkEDVHeFlP
Name 6-BENZYL-5-ISOPROPYL-2-[(4'-METHOXYPHENYLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N2O3S
InChI InChI=1S/C23H24N2O3S/c1-15(2)21-19(13-16-7-5-4-6-8-16)24-23(25-22(21)27)29-14-20(26)17-9-11-18(28-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,24,25,27)
InChIKey ABZORBYFBPUXPA-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 408.515 g/mol
Sample ID 39886
Solvent DMSO-D6