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1-Phosphabicyclo[2.2.2]octa-2,5,7-triene, 2,4,5,8-tetraphenyl-, 1-sulfide
SpectraBase Compound ID DCZTZlZ9EnN
InChI InChI=1S/C31H23PS/c33-32-22-28(24-13-5-1-6-14-24)31(27-19-11-4-12-20-27,21-30(32)26-17-9-3-10-18-26)29(23-32)25-15-7-2-8-16-25/h1-23H/t31-,32+
InChIKey WAQQSCZJKOHTSR-MEKGRNQZSA-N
Mol Weight 458.56 g/mol
Molecular Formula C31H23PS
Exact Mass 458.125809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNJgQkhTmRc
Name 1-Phosphabicyclo[2.2.2]octa-2,5,7-triene, 2,4,5,8-tetraphenyl-, 1-sulfide
Alternate Name(s) 2,4,5,8-tetraphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene 1-sulfide 3,4,5,7-Tetraphenyl-1-phosphbicyclo[2.2.2]octa-2,5,7-triene 1-sulfide
CAS Registry Number 108672-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23PS
InChI InChI=1S/C31H23PS/c33-32-22-28(24-13-5-1-6-14-24)31(27-19-11-4-12-20-27,21-30(32)26-17-9-3-10-18-26)29(23-32)25-15-7-2-8-16-25/h1-23H/t31-,32+
InChIKey WAQQSCZJKOHTSR-MEKGRNQZSA-N
Molecular Weight 458.559 g/mol
SMILES C=1[P@]2(C(=C[C@](C1c1ccccc1)(c1ccccc1)C(=C2)c1ccccc1)c1ccccc1)=S
SPLASH splash10-0udi-0459000000-2fbea04308286ce8ea8a
Source of Spectrum AJ-59-2049-11
Wiley ID 1390092