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Cycloheptanone, 3-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-, [R*,S*-(E)]-(.+-.)-
SpectraBase Compound ID 76Wq1PfbSnV
InChI InChI=1S/C23H27O2P/c1-20(23(24)17-10-2-3-11-18-23)16-19-26(25,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-10,12-17,19-20,24H,2-3,11,18H2,1H3/b19-16+
InChIKey NSUAOIKQXWWNRO-KNTRCKAVSA-N
Mol Weight 366.44 g/mol
Molecular Formula C23H27O2P
Exact Mass 366.174867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40mQI4gT0ks
Name Cycloheptanone, 3-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-, [R*,S*-(E)]-(.+-.)-
CAS Registry Number 114678-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27O2P
InChI InChI=1S/C23H27O2P/c1-20(23(24)17-10-2-3-11-18-23)16-19-26(25,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-10,12-17,19-20,24H,2-3,11,18H2,1H3/b19-16+
InChIKey NSUAOIKQXWWNRO-KNTRCKAVSA-N
Molecular Weight 366.441 g/mol
SMILES OC1(C(\C=C\P(=O)(c2ccccc2)c2ccccc2)C)C=CCCCC1
SPLASH splash10-0udi-0090000000-a45d015b82170d2c0854
Source of Spectrum C-110-5422-60
Synonyms (E)-1-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]cyclohept-2-en-1-ol 1-[(2E)-3-(diphenylphosphoryl)-1-methyl-2-propenyl]-2-cyclohepten-1-ol
Wiley ID 1352207