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1-Phosphabicyclo[2.2.2]octa-2,5-diene, 8-butoxy-2-(4-methylphenyl)-4,5-diphenyl-, 1-sulfide

View entire compound with spectra: 1 MS (GC)

1-Phosphabicyclo[2.2.2]octa-2,5-diene, 8-butoxy-2-(4-methylphenyl)-4,5-diphenyl-, 1-sulfide
SpectraBase Compound ID YbRLeYfqr0
InChI InChI=1S/C30H31OPS/c1-3-4-19-31-29-22-32(33)21-27(24-11-7-5-8-12-24)30(29,26-13-9-6-10-14-26)20-28(32)25-17-15-23(2)16-18-25/h5-18,20-21,29H,3-4,19,22H2,1-2H3/t29?,30-,32+/m0/s1
InChIKey OJMOAOFFBRRZFH-BLGYCMGJSA-N
Mol Weight 470.61 g/mol
Molecular Formula C30H31OPS
Exact Mass 470.183324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLcL36Uw01y
Name 1-Phosphabicyclo[2.2.2]octa-2,5-diene, 8-butoxy-2-(4-methylphenyl)-4,5-diphenyl-, 1-sulfide
Alternate Name(s) 8-Butoxy-2-(4-methylphenyl)-4,5-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5-diene 1-sulfide 8-Butoxy-4,5-diphenyl-2p-tolyl-1-phosphabicyclo[2.2.2]-octa-2,5-diene 1-sulfide Butyl 7-(4-methylphenyl)-4,5-diphenyl-1-sulfido-1-phosphabicyclo[2.2.2]octa-5,7-dien-3-yl ether
CAS Registry Number 113613-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31OPS
InChI InChI=1S/C30H31OPS/c1-3-4-19-31-29-22-32(33)21-27(24-11-7-5-8-12-24)30(29,26-13-9-6-10-14-26)20-28(32)25-17-15-23(2)16-18-25/h5-18,20-21,29H,3-4,19,22H2,1-2H3/t29?,30-,32+/m0/s1
InChIKey OJMOAOFFBRRZFH-BLGYCMGJSA-N
Molecular Weight 470.611 g/mol
SMILES C=1[P@]2(CC([C@](C1c1ccccc1)(c1ccccc1)C=C2c1ccc(cc1)C)OCCCC)=S
SPLASH splash10-0fy9-0339000000-63348a230f1e3b861d89
Source of Spectrum AJ-60-1560-7
Wiley ID 1392942