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6-(4-CHLOROBENZYL)-5-METHYL-2-[3-(N-PHTHALIMIDO)-PROPYL]-THIOPYRIMIDIN-4(3H)-ONE

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6-(4-CHLOROBENZYL)-5-METHYL-2-[3-(N-PHTHALIMIDO)-PROPYL]-THIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID F8YS0fuRpS4
InChI InChI=1S/C23H20ClN3O3S/c1-14-19(13-15-7-9-16(24)10-8-15)25-23(26-20(14)28)31-12-4-11-27-21(29)17-5-2-3-6-18(17)22(27)30/h2-3,5-10H,4,11-13H2,1H3,(H,25,26,28)
InChIKey CMVIOCDXCDPVAK-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55pcXpQz5ic
Name 6-(4-CHLOROBENZYL)-5-METHYL-2-[3-(N-PHTHALIMIDO)-PROPYL]-THIOPYRIMIDIN-4(3H)-ONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20ClN3O3S
InChI InChI=1S/C23H20ClN3O3S/c1-14-19(13-15-7-9-16(24)10-8-15)25-23(26-20(14)28)31-12-4-11-27-21(29)17-5-2-3-6-18(17)22(27)30/h2-3,5-10H,4,11-13H2,1H3,(H,25,26,28)
InChIKey CMVIOCDXCDPVAK-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 453.943 g/mol
Solvent DMSO-D6
Source File Reference UWBT14582