| SpectraBase Compound ID | 8WJj5t2yPTK |
|---|---|
| InChI | InChI=1S/C21H45O3P/c1-6-8-10-11-12-13-14-15-16-17-18-23-25(22,19-9-7-2)24-20-21(3,4)5/h6-20H2,1-5H3 |
| InChIKey | AYZPAEWGXIUOOR-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C21H45O3P |
| Exact Mass | 376.310632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | y4g3jzi2q7 |
|---|---|
| Name | Butylphosphonic acid, dodecyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.310632304 u |
| Formula | C21H45O3P |
| InChI | InChI=1S/C21H45O3P/c1-6-8-10-11-12-13-14-15-16-17-18-23-25(22,19-9-7-2)24-20-21(3,4)5/h6-20H2,1-5H3 |
| InChIKey | AYZPAEWGXIUOOR-UHFFFAOYSA-N |
| Molecular Weight | 376.562 g/mol |
| SMILES | C(CCCCCOP(CCCC)(=O)OCC(C)(C)C)CCCCCC |