| SpectraBase Compound ID | FuJWzyRAMNw |
|---|---|
| InChI | InChI=1S/C20H39O3P/c1-5-8-10-11-12-13-14-15-16-17-18-22-24(21,19-9-6-2)23-20(4)7-3/h3,20H,5-6,8-19H2,1-2,4H3 |
| InChIKey | UMWGAMHEUIJRFP-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H39O3P |
| Exact Mass | 358.263682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtxRLdfb07c |
|---|---|
| Name | Butylphosphonic acid, but-1-yn-3-yl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.263682111 u |
| Formula | C20H39O3P |
| InChI | InChI=1S/C20H39O3P/c1-5-8-10-11-12-13-14-15-16-17-18-22-24(21,19-9-6-2)23-20(4)7-3/h3,20H,5-6,8-19H2,1-2,4H3 |
| InChIKey | UMWGAMHEUIJRFP-UHFFFAOYSA-N |
| Molecular Weight | 358.503 g/mol |
| SMILES | C(CCCOP(CCCC)(=O)OC(C#C)C)CCCCCCCC |