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

*Links on SpectraBase are not permalinks.

(2S,3R)-1-Diphenylphosphinoyl-2-propylhexan-3-yl acetate

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

(2S,3R)-1-Diphenylphosphinoyl-2-propylhexan-3-yl acetate
SpectraBase Compound ID LOm2yNmIsUE
InChI InChI=1S/C23H31O3P/c1-4-12-20(23(13-5-2)26-19(3)24)18-27(25,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,20,23H,4-5,12-13,18H2,1-3H3/t20-,23-/m1/s1
InChIKey AOLPMZWELPWBCC-NFBKMPQASA-N
Mol Weight 386.47 g/mol
Molecular Formula C23H31O3P
Exact Mass 386.201082 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 nqoMsshw4p
Name (2S,3R)-1-Diphenylphosphinoyl-2-propylhexan-3-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.201081853 u
Formula C23H31O3P
InChI InChI=1S/C23H31O3P/c1-4-12-20(23(13-5-2)26-19(3)24)18-27(25,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,20,23H,4-5,12-13,18H2,1-3H3/t20-,23-/m1/s1
InChIKey AOLPMZWELPWBCC-NFBKMPQASA-N
Molecular Weight 386.472 g/mol
SMILES C(P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)[C@]([C@](OC(=O)C)(CCC)[H])(CCC)[H]