| SpectraBase Compound ID | IxcSNEPWG3b |
|---|---|
| InChI | InChI=1S/C27H57O3P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-30-31(28,27-9-6-3)29-25-23-8-5-2/h4-27H2,1-3H3 |
| InChIKey | SMEDCRLDPJRXCK-UHFFFAOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C27H57O3P |
| Exact Mass | 460.404533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vjaRKjTcPE |
|---|---|
| Name | Butylphosphonic acid, octadecyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.404532690 u |
| Formula | C27H57O3P |
| InChI | InChI=1S/C27H57O3P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-30-31(28,27-9-6-3)29-25-23-8-5-2/h4-27H2,1-3H3 |
| InChIKey | SMEDCRLDPJRXCK-UHFFFAOYSA-N |
| Molecular Weight | 460.724 g/mol |
| SMILES | C(CCCOP(CCCC)(=O)OCCCCC)CCCCCCCCCCCCCC |