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[[(E)-3-cyclohexyl-2-methyl-allyl]-phenyl-phosphoryl]benzene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[[(E)-3-cyclohexyl-2-methyl-allyl]-phenyl-phosphoryl]benzene
SpectraBase Compound ID LbPDBh76Po5
InChI InChI=1S/C22H27OP/c1-19(17-20-11-5-2-6-12-20)18-24(23,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-17,20H,2,5-6,11-12,18H2,1H3/b19-17+
InChIKey JKBWOXRHSOSRRJ-HTXNQAPBSA-N
Mol Weight 338.43 g/mol
Molecular Formula C22H27OP
Exact Mass 338.179952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2os4EbMxOy
Name [[(E)-3-Cyclohexyl-2-methyl-allyl]-phenyl-phosphoryl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.179952486 u
Formula C22H27OP
InChI InChI=1S/C22H27OP/c1-19(17-20-11-5-2-6-12-20)18-24(23,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-17,20H,2,5-6,11-12,18H2,1H3/b19-17+
InChIKey JKBWOXRHSOSRRJ-HTXNQAPBSA-N
Molecular Weight 338.431 g/mol
SMILES C(\C(=C\C1CCCCC1)C)P(=O)(C=1C=CC=CC1)C=1C=CC=CC1