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6-(4-CHLOROBENZYL)-5-METHYL-2-[2-(N-PHTHALIMIDO)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID ARzLwGfH57K
InChI InChI=1S/C22H18ClN3O3S/c1-13-18(12-14-6-8-15(23)9-7-14)24-22(25-19(13)27)30-11-10-26-20(28)16-4-2-3-5-17(16)21(26)29/h2-9H,10-12H2,1H3,(H,24,25,27)
InChIKey HLWOJWZXXVSTOM-UHFFFAOYSA-N
Mol Weight 439.92 g/mol
Molecular Formula C22H18ClN3O3S
Exact Mass 439.07574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8p9rRW5bVmE
Name 6-(4-CHLOROBENZYL)-5-METHYL-2-[2-(N-PHTHALIMIDO)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3O3S
InChI InChI=1S/C22H18ClN3O3S/c1-13-18(12-14-6-8-15(23)9-7-14)24-22(25-19(13)27)30-11-10-26-20(28)16-4-2-3-5-17(16)21(26)29/h2-9H,10-12H2,1H3,(H,24,25,27)
InChIKey HLWOJWZXXVSTOM-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 439.916 g/mol
Solvent DMSO-D6
Source File Reference UWBT14580