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6-BENZYL-5-ETHYL-2-[(THIOPHEN-2-YLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID EKvWHw7D6HD
InChI InChI=1S/C19H18N2O2S2/c1-2-14-15(11-13-7-4-3-5-8-13)20-19(21-18(14)23)25-12-16(22)17-9-6-10-24-17/h3-10H,2,11-12H2,1H3,(H,20,21,23)
InChIKey CMXCPYBMSNJSAK-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C19H18N2O2S2
Exact Mass 370.08097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRFilAPuJjm
Name 6-BENZYL-5-ETHYL-2-[(THIOPHEN-2-YLCARBONYLMETHYL)-THIO]-PYRIMIDIN-4(3H)-ONE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N2O2S2
InChI InChI=1S/C19H18N2O2S2/c1-2-14-15(11-13-7-4-3-5-8-13)20-19(21-18(14)23)25-12-16(22)17-9-6-10-24-17/h3-10H,2,11-12H2,1H3,(H,20,21,23)
InChIKey CMXCPYBMSNJSAK-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 370.484 g/mol
Sample ID 39887
Solvent DMSO-D6