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(3S)-3-[(E,1R)-3-diphenylphosphoryl-1-methyl-allyl]cyclopentanone
SpectraBase Compound ID 4jHfPyZdQ0A
InChI InChI=1S/C21H23O2P/c1-17(18-12-13-19(22)16-18)14-15-24(23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14-15,17-18H,12-13,16H2,1H3/b15-14+/t17-,18-/m0/s1
InChIKey NQFQYGARJSDSQC-DNWQSSKHSA-N
Mol Weight 338.39 g/mol
Molecular Formula C21H23O2P
Exact Mass 338.143567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBrw2ZyKlQa
Name (3S)-3-[(E,1R)-3-diphenylphosphoryl-1-methyl-allyl]cyclopentanone
CAS Registry Number 114678-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23O2P
InChI InChI=1S/C21H23O2P/c1-17(18-12-13-19(22)16-18)14-15-24(23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14-15,17-18H,12-13,16H2,1H3/b15-14+/t17-,18-/m0/s1
InChIKey NQFQYGARJSDSQC-DNWQSSKHSA-N
Molecular Weight 338.387 g/mol
SMILES [C@@](\C=C\P(=O)(c1ccccc1)c1ccccc1)([C@@]1(CC(=O)CC1)[H])(C)[H]
SPLASH splash10-0udi-0090000000-49d0f5fc877f14f84f45
Source of Spectrum C-110-5422-56
Synonyms (3S)-3-[(E,2R)-4-diphenylphosphorylbut-3-en-2-yl]-1-cyclopentanone (3S)-3-[(E,2R)-4-diphenylphosphorylbut-3-en-2-yl]cyclopentan-1-one
Wiley ID 1334011