| SpectraBase Compound ID | ELgMkAR5QAE |
|---|---|
| InChI | InChI=1S/C26H55O3P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(27,24-9-7-2)29-25-26(3,4)5/h6-25H2,1-5H3 |
| InChIKey | CTOMBIUZLVJKTL-UHFFFAOYSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C26H55O3P |
| Exact Mass | 446.388883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJnUuR20JxC |
|---|---|
| Name | Butylphosphonic acid, heptadecyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.388882626 u |
| Formula | C26H55O3P |
| InChI | InChI=1S/C26H55O3P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(27,24-9-7-2)29-25-26(3,4)5/h6-25H2,1-5H3 |
| InChIKey | CTOMBIUZLVJKTL-UHFFFAOYSA-N |
| Molecular Weight | 446.697 g/mol |
| SMILES | C(CCCCCOP(CCCC)(=O)OCC(C)(C)C)CCCCCCCCCCC |