| SpectraBase Compound ID | 8E9WtDd4826 |
|---|---|
| InChI | InChI=1S/C21H37O3P/c1-3-5-7-8-9-13-18-23-25(22,20-6-4-2)24-19-14-17-21-15-11-10-12-16-21/h10-12,15-16H,3-9,13-14,17-20H2,1-2H3 |
| InChIKey | FNBQBMPMYCEJCD-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C21H37O3P |
| Exact Mass | 368.248032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BEZoNuh3avv |
|---|---|
| Name | Butylphosphonic acid, octyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.248032046 u |
| Formula | C21H37O3P |
| InChI | InChI=1S/C21H37O3P/c1-3-5-7-8-9-13-18-23-25(22,20-6-4-2)24-19-14-17-21-15-11-10-12-16-21/h10-12,15-16H,3-9,13-14,17-20H2,1-2H3 |
| InChIKey | FNBQBMPMYCEJCD-UHFFFAOYSA-N |
| Molecular Weight | 368.498 g/mol |
| SMILES | C(COP(CCCC)(OCCCCCCCC)=O)CC1=CC=CC=C1 |