For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-ISOPROPYL-2-[(4'-METHOXYPHENYLETHYL)-THIO]-6-(1-NAPHTHYLMETHYL)-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 6Y4KYQKRK5R
InChI InChI=1S/C27H28N2O2S/c1-18(2)25-24(17-21-9-6-8-20-7-4-5-10-23(20)21)28-27(29-26(25)30)32-16-15-19-11-13-22(31-3)14-12-19/h4-14,18H,15-17H2,1-3H3,(H,28,29,30)
InChIKey AJDKVYOWYPHCJD-UHFFFAOYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C27H28N2O2S
Exact Mass 444.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IYfW6Knxi8F
Name 5-ISOPROPYL-2-[(4'-METHOXYPHENYLETHYL)-THIO]-6-(1-NAPHTHYLMETHYL)-PYRIMIDIN-4(3H)-ONE
Compound Number 2O
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N2O2S
InChI InChI=1S/C27H28N2O2S/c1-18(2)25-24(17-21-9-6-8-20-7-4-5-10-23(20)21)28-27(29-26(25)30)32-16-15-19-11-13-22(31-3)14-12-19/h4-14,18H,15-17H2,1-3H3,(H,28,29,30)
InChIKey AJDKVYOWYPHCJD-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 444.592 g/mol
Sample ID 39895
Solvent DMSO-D6