| SpectraBase Compound ID | 3XcrsWPqNr4 |
|---|---|
| InChI | InChI=1S/C17H37O3P/c1-6-8-10-11-12-13-14-19-21(18,15-9-7-2)20-16-17(3,4)5/h6-16H2,1-5H3 |
| InChIKey | MKFCCKOINDYXGF-UHFFFAOYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C17H37O3P |
| Exact Mass | 320.248032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjuZCTsdLN7 |
|---|---|
| Name | Butylphosphonic acid, neopentyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.248032046 u |
| Formula | C17H37O3P |
| InChI | InChI=1S/C17H37O3P/c1-6-8-10-11-12-13-14-19-21(18,15-9-7-2)20-16-17(3,4)5/h6-16H2,1-5H3 |
| InChIKey | MKFCCKOINDYXGF-UHFFFAOYSA-N |
| Molecular Weight | 320.454 g/mol |
| SMILES | CCCCCCCCOP(CCCC)(=O)OCC(C)(C)C |