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1-Phosphabicyclo[2.2.2]octa-2,5,7-triene, 2-(4-methylphenyl)-4,5,8-triphenyl-, 1-sulfide
SpectraBase Compound ID J7e7nRuueVf
InChI InChI=1S/C32H25PS/c1-24-17-19-27(20-18-24)31-21-32(28-15-9-4-10-16-28)29(25-11-5-2-6-12-25)22-33(31,34)23-30(32)26-13-7-3-8-14-26/h2-23H,1H3/t32-,33+
InChIKey IEMHCNAYOXKZFX-CZFRINIUSA-N
Mol Weight 472.6 g/mol
Molecular Formula C32H25PS
Exact Mass 472.141459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EPT5gqR91u
Name 1-Phosphabicyclo[2.2.2]octa-2,5,7-triene, 2-(4-methylphenyl)-4,5,8-triphenyl-, 1-sulfide
Alternate Name(s) 2-(4-Methylphenyl)-4,5,8-triphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene 1-sulfide 7-p-tolyl-3,4,5-triphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene 1-sulfide
CAS Registry Number 108672-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H25PS
InChI InChI=1S/C32H25PS/c1-24-17-19-27(20-18-24)31-21-32(28-15-9-4-10-16-28)29(25-11-5-2-6-12-25)22-33(31,34)23-30(32)26-13-7-3-8-14-26/h2-23H,1H3/t32-,33+
InChIKey IEMHCNAYOXKZFX-CZFRINIUSA-N
Molecular Weight 472.586 g/mol
SMILES C=1[P@]2(C(=C[C@](C1c1ccccc1)(c1ccccc1)C(=C2)c1ccccc1)c1ccc(cc1)C)=S
SPLASH splash10-0g4r-0439100000-48235b7c6a92f1656101
Source of Spectrum AJ-59-2049-11
Wiley ID 1393568