| SpectraBase Compound ID | 1XqhMZKfLfu |
|---|---|
| InChI | InChI=1S/C23H41O3P/c1-4-6-8-9-10-11-12-13-14-15-19-25-27(24,20-7-5-2)26-23-18-16-17-22(3)21-23/h16-18,21H,4-15,19-20H2,1-3H3 |
| InChIKey | WSUPTPOHEAZICA-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C23H41O3P |
| Exact Mass | 396.279332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dem9PlQgntH |
|---|---|
| Name | Butylphosphonic acid, dodecyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.279332175 u |
| Formula | C23H41O3P |
| InChI | InChI=1S/C23H41O3P/c1-4-6-8-9-10-11-12-13-14-15-19-25-27(24,20-7-5-2)26-23-18-16-17-22(3)21-23/h16-18,21H,4-15,19-20H2,1-3H3 |
| InChIKey | WSUPTPOHEAZICA-UHFFFAOYSA-N |
| Molecular Weight | 396.552 g/mol |
| SMILES | C1=C(C=C(C=C1)C)OP(CCCC)(OCCCCCCCCCCCC)=O |