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5-ISOPROPYL-2-[(PHENYLETHYL)-THIO]-6-(1-NAPHTHYLMETHYL)-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID JnvAWn1PIZx
InChI InChI=1S/C26H26N2OS/c1-18(2)24-23(17-21-13-8-12-20-11-6-7-14-22(20)21)27-26(28-25(24)29)30-16-15-19-9-4-3-5-10-19/h3-14,18H,15-17H2,1-2H3,(H,27,28,29)
InChIKey NGEZBPJXVLSSTI-UHFFFAOYSA-N
Mol Weight 414.57 g/mol
Molecular Formula C26H26N2OS
Exact Mass 414.176585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1GoVtzroTH
Name 5-ISOPROPYL-2-[(PHENYLETHYL)-THIO]-6-(1-NAPHTHYLMETHYL)-PYRIMIDIN-4(3H)-ONE
Compound Number 2R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N2OS
InChI InChI=1S/C26H26N2OS/c1-18(2)24-23(17-21-13-8-12-20-11-6-7-14-22(20)21)27-26(28-25(24)29)30-16-15-19-9-4-3-5-10-19/h3-14,18H,15-17H2,1-2H3,(H,27,28,29)
InChIKey NGEZBPJXVLSSTI-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 414.565 g/mol
Sample ID 39898
Solvent DMSO-D6