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

*Links on SpectraBase are not permalinks.

Butylphosphonic acid, heptadecyl 2-methylphenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, heptadecyl 2-methylphenyl ester
SpectraBase Compound ID 3Pc1o8Og8o6
InChI InChI=1S/C28H51O3P/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-32(29,26-7-5-2)31-28-24-21-20-23-27(28)3/h20-21,23-24H,4-19,22,25-26H2,1-3H3
InChIKey FJDNNPLKHHGPKM-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C28H51O3P
Exact Mass 466.357582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8vSrg7ZtWgZ
Name Butylphosphonic acid, heptadecyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.357582497 u
Formula C28H51O3P
InChI InChI=1S/C28H51O3P/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-32(29,26-7-5-2)31-28-24-21-20-23-27(28)3/h20-21,23-24H,4-19,22,25-26H2,1-3H3
InChIKey FJDNNPLKHHGPKM-UHFFFAOYSA-N
Molecular Weight 466.687 g/mol
SMILES C(CCCOP(CCCC)(=O)OC1=CC=CC=C1C)CCCCCCCCCCCCC