| SpectraBase Compound ID | LNol2t6YN8k |
|---|---|
| InChI | InChI=1S/C21H45O4P/c1-4-7-10-12-14-17-20-24-26(22,23-19-16-9-6-3)25-21-18-15-13-11-8-5-2/h4-21H2,1-3H3 |
| InChIKey | KZACHVOMZWLMJV-UHFFFAOYSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C21H45O4P |
| Exact Mass | 392.305547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlhSFrMvuXp |
|---|---|
| Name | Phosphoric acid, dioctyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.305546923 u |
| Formula | C21H45O4P |
| InChI | InChI=1S/C21H45O4P/c1-4-7-10-12-14-17-20-24-26(22,23-19-16-9-6-3)25-21-18-15-13-11-8-5-2/h4-21H2,1-3H3 |
| InChIKey | KZACHVOMZWLMJV-UHFFFAOYSA-N |
| Molecular Weight | 392.561 g/mol |
| SMILES | CCCCCCCCOP(OCCCCCCCC)(OCCCCC)=O |