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6-(3,4-DIMETHOXYBENZYL)-2-[2-(DIETHYLAMINO)-ETHYL]-THIO-5-ETHYLPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID iHfw5d9C2V
InChI InChI=1S/C21H31N3O3S/c1-6-16-17(13-15-9-10-18(26-4)19(14-15)27-5)22-21(23-20(16)25)28-12-11-24(7-2)8-3/h9-10,14H,6-8,11-13H2,1-5H3,(H,22,23,25)
InChIKey FXCKFLUHNLZVQJ-UHFFFAOYSA-N
Mol Weight 405.56 g/mol
Molecular Formula C21H31N3O3S
Exact Mass 405.208613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADRVfyQG2FD
Name 6-(3,4-DIMETHOXYBENZYL)-2-[2-(DIETHYLAMINO)-ETHYL]-THIO-5-ETHYLPYRIMIDIN-4(3H)-ONE
Compound Number 4B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N3O3S
InChI InChI=1S/C21H31N3O3S/c1-6-16-17(13-15-9-10-18(26-4)19(14-15)27-5)22-21(23-20(16)25)28-12-11-24(7-2)8-3/h9-10,14H,6-8,11-13H2,1-5H3,(H,22,23,25)
InChIKey FXCKFLUHNLZVQJ-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 405.555 g/mol
Solvent CDCl3
Source File Reference UWBT14573