| SpectraBase Compound ID | 2wlz59mKsUl |
|---|---|
| InChI | InChI=1S/C25H53O4P/c1-5-8-11-13-14-15-17-21-28-30(26,24-10-7-3)29-23-20-25(19-22-27-4)18-16-12-9-6-2/h25H,5-24H2,1-4H3 |
| InChIKey | OZUXAJUQXOIHTK-UHFFFAOYSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C25H53O4P |
| Exact Mass | 448.368147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BVavNV2OBp |
|---|---|
| Name | Butylphosphonic acid, 3-(2-methoxyethyl)nonyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.368147181 u |
| Formula | C25H53O4P |
| InChI | InChI=1S/C25H53O4P/c1-5-8-11-13-14-15-17-21-28-30(26,24-10-7-3)29-23-20-25(19-22-27-4)18-16-12-9-6-2/h25H,5-24H2,1-4H3 |
| InChIKey | OZUXAJUQXOIHTK-UHFFFAOYSA-N |
| Molecular Weight | 448.669 g/mol |
| SMILES | CCCCCCCCCOP(CCCC)(=O)OCCC(CCOC)CCCCCC |