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6-(3,4-DIMETHOXYBENZYL)-5-ETHYL-2-[2-(PIPERIDIN-1-YL)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID CdhPZEh3Mnz
InChI InChI=1S/C22H31N3O3S/c1-4-17-18(14-16-8-9-19(27-2)20(15-16)28-3)23-22(24-21(17)26)29-13-12-25-10-6-5-7-11-25/h8-9,15H,4-7,10-14H2,1-3H3,(H,23,24,26)
InChIKey LEGONJVBZBHGKS-UHFFFAOYSA-N
Mol Weight 417.57 g/mol
Molecular Formula C22H31N3O3S
Exact Mass 417.208613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmdthU8CPGz
Name 6-(3,4-DIMETHOXYBENZYL)-5-ETHYL-2-[2-(PIPERIDIN-1-YL)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31N3O3S
InChI InChI=1S/C22H31N3O3S/c1-4-17-18(14-16-8-9-19(27-2)20(15-16)28-3)23-22(24-21(17)26)29-13-12-25-10-6-5-7-11-25/h8-9,15H,4-7,10-14H2,1-3H3,(H,23,24,26)
InChIKey LEGONJVBZBHGKS-UHFFFAOYSA-N
Literature Reference Author M.I.ATTIA,A.A.EL-EMAM,A.A.AL-TURKISTANI,A.L.KANSOH,N.R.EL-BR OLLOSY
Literature Reference Citation MOLECULES,19,279(2014)
Literature Reference DOI 10.3390/molecules19010279
Molecular Weight 417.566 g/mol
Solvent CDCl3
Source File Reference UWBT14575