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1-Cyclopentene-1-ethanol, .beta.-(diphenylphosphinyl)-.alpha.,.beta.-dimethyl-5-(phenylthio)-
SpectraBase Compound ID BzAo0eXtMON
InChI InChI=1S/C27H29O2PS/c1-21(28)27(2,25-19-12-20-26(25)31-24-17-10-5-11-18-24)30(29,22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-19,21,26,28H,12,20H2,1-2H3
InChIKey OQECAZALONLMOI-UHFFFAOYSA-N
Mol Weight 448.56 g/mol
Molecular Formula C27H29O2PS
Exact Mass 448.162588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGXISU1CNdG
Name 1-Cyclopentene-1-ethanol, .beta.-(diphenylphosphinyl)-.alpha.,.beta.-dimethyl-5-(phenylthio)-
CAS Registry Number 64894-39-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29O2PS
InChI InChI=1S/C27H29O2PS/c1-21(28)27(2,25-19-12-20-26(25)31-24-17-10-5-11-18-24)30(29,22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-19,21,26,28H,12,20H2,1-2H3
InChIKey OQECAZALONLMOI-UHFFFAOYSA-N
Molecular Weight 448.561 g/mol
SMILES OC(C(P(=O)(c1ccccc1)c1ccccc1)(C=1C(Sc2ccccc2)CCC1)C)C
SPLASH splash10-0udl-0090100000-a481dc2a1f57dd89901f
Source of Spectrum KC-1977-1462-0
Synonyms 3-(diphenylphosphoryl)-3-[5-(phenylsulfanyl)-1-cyclopenten-1-yl]-2-butanol 3-Diphenylphophinoyl-3-(5-phenylthiocyclopent-1-enyl)-butan-2-ol
Wiley ID 1387272