For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(4rs,5sr)-(E)-5-Diphenylphosphinoyl-6-methylhept-2-en-4-yl acetate

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

(4rs,5sr)-(E)-5-Diphenylphosphinoyl-6-methylhept-2-en-4-yl acetate
SpectraBase Compound ID FbExbeVdbta
InChI InChI=1S/C22H27O3P/c1-5-12-21(25-18(4)23)22(17(2)3)26(24,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-17,21-22H,1-4H3/b12-5+
InChIKey PGCWBOCQDHOWPX-LFYBBSHMSA-N
Mol Weight 370.43 g/mol
Molecular Formula C22H27O3P
Exact Mass 370.169782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3WonUFaczS
Name (4rs,5sr)-(E)-5-Diphenylphosphinoyl-6-methylhept-2-en-4-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.169781724 u
Formula C22H27O3P
InChI InChI=1S/C22H27O3P/c1-5-12-21(25-18(4)23)22(17(2)3)26(24,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-17,21-22H,1-4H3/b12-5+
InChIKey PGCWBOCQDHOWPX-LFYBBSHMSA-N
Molecular Weight 370.429 g/mol
SMILES C(P(=O)(C=1C=CC=CC1)C1=CC=CC=C1)(C(OC(=O)C)\C=C\C)C(C)C