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isomer-3-diphenylphosphinoyl-2-(4-methylcyclohex-3-enyl)-6-methylhept-5-en-2-ol
SpectraBase Compound ID JwiT9VFlBMu
InChI InChI=1S/C27H35O2P/c1-21(2)15-20-26(27(4,28)23-18-16-22(3)17-19-23)30(29,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-16,23,26,28H,17-20H2,1-4H3
InChIKey WANVXQGKDJHHTM-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C27H35O2P
Exact Mass 422.237467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aan96cD5yxh
Name isomer-3-diphenylphosphinoyl-2-(4-methylcyclohex-3-enyl)-6-methylhept-5-en-2-ol
CAS Registry Number 115793-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35O2P
InChI InChI=1S/C27H35O2P/c1-21(2)15-20-26(27(4,28)23-18-16-22(3)17-19-23)30(29,24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-16,23,26,28H,17-20H2,1-4H3
InChIKey WANVXQGKDJHHTM-UHFFFAOYSA-N
Molecular Weight 422.549 g/mol
SMILES OC(C(P(=O)(c1ccccc1)c1ccccc1)CC=C(C)C)(C1CC=C(CC1)C)C
SPLASH splash10-0a4i-0039100000-3efd43cd0bad1af61af1
Source of Spectrum KC-1987-2576-19
Synonyms 3-Diphenylphosphinoyl-2-(4-methylcyclohex-3-enyl)-6-methylhept-5-en-2-ol 3-(diphenylphosphoryl)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol
Wiley ID 1378771