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

*Links on SpectraBase are not permalinks.

Butylphosphonic acid, 1-adamantylmethyl dodecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 1-adamantylmethyl dodecyl ester
SpectraBase Compound ID Gip0InyDPUC
InChI InChI=1S/C27H51O3P/c1-3-5-7-8-9-10-11-12-13-14-15-29-31(28,16-6-4-2)30-23-27-20-24-17-25(21-27)19-26(18-24)22-27/h24-26H,3-23H2,1-2H3/t24-,25+,26-,27-,31?
InChIKey SKNGOJSIMKHKNJ-GWCTUEMRSA-N
Mol Weight 454.7 g/mol
Molecular Formula C27H51O3P
Exact Mass 454.357582 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 HJsCd7Boxek
Name Butylphosphonic acid, 1-adamantylmethyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.357582497 u
Formula C27H51O3P
InChI InChI=1S/C27H51O3P/c1-3-5-7-8-9-10-11-12-13-14-15-29-31(28,16-6-4-2)30-23-27-20-24-17-25(21-27)19-26(18-24)22-27/h24-26H,3-23H2,1-2H3/t24-,25+,26-,27-,31?
InChIKey SKNGOJSIMKHKNJ-GWCTUEMRSA-N
Molecular Weight 454.676 g/mol
SMILES C(COP(CCCC)(=O)OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CCCCCCCCCC