| SpectraBase Compound ID | BSNQ23vaEAr |
|---|---|
| InChI | InChI=1S/C22H47O3P/c1-4-7-10-12-13-14-15-17-19-21-25-26(23,22-9-6-3)24-20-18-16-11-8-5-2/h4-22H2,1-3H3 |
| InChIKey | FQXWYVGSWMGDDG-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C22H47O3P |
| Exact Mass | 390.326282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4Mv6wG9PSh |
|---|---|
| Name | Butylphosphonic acid, heptyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.326282368 u |
| Formula | C22H47O3P |
| InChI | InChI=1S/C22H47O3P/c1-4-7-10-12-13-14-15-17-19-21-25-26(23,22-9-6-3)24-20-18-16-11-8-5-2/h4-22H2,1-3H3 |
| InChIKey | FQXWYVGSWMGDDG-UHFFFAOYSA-N |
| Molecular Weight | 390.589 g/mol |
| SMILES | C(COP(CCCC)(=O)OCCCCCCCCCCC)CCCCC |