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

*Links on SpectraBase are not permalinks.

Butylphosphonic acid, decyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, decyl 2-isopropoxyphenyl ester
SpectraBase Compound ID H36BXBWlWAt
InChI InChI=1S/C23H41O4P/c1-5-7-9-10-11-12-13-16-19-25-28(24,20-8-6-2)27-23-18-15-14-17-22(23)26-21(3)4/h14-15,17-18,21H,5-13,16,19-20H2,1-4H3
InChIKey NMHKUCQVJAEPCG-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C23H41O4P
Exact Mass 412.274247 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 FVdlhpWHDD
Name Butylphosphonic acid, decyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.274246794 u
Formula C23H41O4P
InChI InChI=1S/C23H41O4P/c1-5-7-9-10-11-12-13-16-19-25-28(24,20-8-6-2)27-23-18-15-14-17-22(23)26-21(3)4/h14-15,17-18,21H,5-13,16,19-20H2,1-4H3
InChIKey NMHKUCQVJAEPCG-UHFFFAOYSA-N
Molecular Weight 412.551 g/mol
SMILES CCCCCCCCCCOP(OC1=CC=CC=C1OC(C)C)(CCCC)=O