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5-ETHYL-6-(1-NAPHTHYLMETHYL)-2-[(THIOPHEN-2-YL)-THIO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID LDofuQzOHm7
InChI InChI=1S/C21H18N2OS2/c1-2-16-18(13-15-9-5-8-14-7-3-4-10-17(14)15)22-21(23-20(16)24)26-19-11-6-12-25-19/h3-12H,2,13H2,1H3,(H,22,23,24)
InChIKey DGQOQFQBIBYDRQ-UHFFFAOYSA-N
Mol Weight 378.51 g/mol
Molecular Formula C21H18N2OS2
Exact Mass 378.086056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AIqfcFoMHe
Name 5-ETHYL-6-(1-NAPHTHYLMETHYL)-2-[(THIOPHEN-2-YL)-THIO]-PYRIMIDIN-4(3H)-ONE
Compound Number 2U
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2OS2
InChI InChI=1S/C21H18N2OS2/c1-2-16-18(13-15-9-5-8-14-7-3-4-10-17(14)15)22-21(23-20(16)24)26-19-11-6-12-25-19/h3-12H,2,13H2,1H3,(H,22,23,24)
InChIKey DGQOQFQBIBYDRQ-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 378.507 g/mol
Sample ID 39901
Solvent DMSO-D6