| SpectraBase Compound ID | 1q3rvqigV2L |
|---|---|
| InChI | InChI=1S/C27H57O3P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-31(28,25-9-7-2)30-26-27(3,4)5/h6-26H2,1-5H3 |
| InChIKey | CROGAGLJWFAPIO-UHFFFAOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C27H57O3P |
| Exact Mass | 460.404533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WZ9khZZNWm |
|---|---|
| Name | Butylphosphonic acid, neopentyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.404532690 u |
| Formula | C27H57O3P |
| InChI | InChI=1S/C27H57O3P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-31(28,25-9-7-2)30-26-27(3,4)5/h6-26H2,1-5H3 |
| InChIKey | CROGAGLJWFAPIO-UHFFFAOYSA-N |
| Molecular Weight | 460.724 g/mol |
| SMILES | C(CCCCCCCOP(CCCC)(=O)OCC(C)(C)C)CCCCCCCCCC |