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6-BENZYL-5-ISOPROPYL-2-[(THIOPHEN-2-YLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID CIPv5RBstAT
InChI InChI=1S/C20H20N2O2S2/c1-13(2)18-15(11-14-7-4-3-5-8-14)21-20(22-19(18)24)26-12-16(23)17-9-6-10-25-17/h3-10,13H,11-12H2,1-2H3,(H,21,22,24)
InChIKey UMNNXQJHAIXFPD-UHFFFAOYSA-N
Mol Weight 384.51 g/mol
Molecular Formula C20H20N2O2S2
Exact Mass 384.09662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OHMxwpc9K2
Name 6-BENZYL-5-ISOPROPYL-2-[(THIOPHEN-2-YLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2O2S2
InChI InChI=1S/C20H20N2O2S2/c1-13(2)18-15(11-14-7-4-3-5-8-14)21-20(22-19(18)24)26-12-16(23)17-9-6-10-25-17/h3-10,13H,11-12H2,1-2H3,(H,21,22,24)
InChIKey UMNNXQJHAIXFPD-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 384.511 g/mol
Sample ID 39888
Solvent DMSO-D6