| SpectraBase Compound ID | 1QgZE66BSwz |
|---|---|
| InChI | InChI=1S/C21H45O3P/c1-4-7-10-12-13-14-15-16-18-20-24-25(22,21-9-6-3)23-19-17-11-8-5-2/h4-21H2,1-3H3 |
| InChIKey | WYFOOEUSMYOODQ-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C21H45O3P |
| Exact Mass | 376.310632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiAk5eGhDFm |
|---|---|
| Name | Butylphosphonic acid, hexyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.310632304 u |
| Formula | C21H45O3P |
| InChI | InChI=1S/C21H45O3P/c1-4-7-10-12-13-14-15-16-18-20-24-25(22,21-9-6-3)23-19-17-11-8-5-2/h4-21H2,1-3H3 |
| InChIKey | WYFOOEUSMYOODQ-UHFFFAOYSA-N |
| Molecular Weight | 376.562 g/mol |
| SMILES | C(CCCCCOP(CCCC)(=O)OCCCCCC)CCCCC |