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2-([6-Hydroxy-2-phenyl-5-(triphenylphosphoranyl)-4-pyrimidinyl]sulfanyl)-1-phenylethanone

View entire compound with spectra: 2 MS (GC)

2-([6-Hydroxy-2-phenyl-5-(triphenylphosphoranyl)-4-pyrimidinyl]sulfanyl)-1-phenylethanone
SpectraBase Compound ID GEGEtD3HjWL
InChI InChI=1S/C36H27N2O2PS/c39-32(27-16-6-1-7-17-27)26-42-36-33(35(40)37-34(38-36)28-18-8-2-9-19-28)41(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2
InChIKey JNDYCXZSIDUWGV-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C36H27N2O2PS
Exact Mass 582.153086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d59esCtx6j
Name 2-([6-Hydroxy-2-phenyl-5-(triphenylphosphoranyl)-4-pyrimidinyl]sulfanyl)-1-phenylethanone
Alternate Name(s) 6-(Phenacylthio)-2-phenyl-5-(triphenylphosphonio)-4-pyrimidinolate 6-(Phenacylthio)-2-phenyl-5-triphenylphosphiniumyl-4-pyrimidinolate 6-(Phenacylthio)-2-phenyl-5-triphenylphosphiniumyl-pyrimidin-4-olate 6-Phenacylsulfanyl-2-phenyl-5-triphenylphosphaniumyl-pyrimidin-4-olate
CAS Registry Number 320580-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H27N2O2PS
InChI InChI=1S/C36H27N2O2PS/c39-32(27-16-6-1-7-17-27)26-42-36-33(35(40)37-34(38-36)28-18-8-2-9-19-28)41(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2
InChIKey JNDYCXZSIDUWGV-UHFFFAOYSA-N
Molecular Weight 582.658 g/mol
SMILES c1(c(c(nc(n1)-c1ccccc1)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1)SCC(=O)c1ccccc1
SPLASH splash10-0pdi-9610000000-9b74e68c8edf29c19705
Wiley ID 1467475