| SpectraBase Compound ID | FhdgCItNYD2 |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-3-5-7-11-14-18-20(17,15-6-4-2)19-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3 |
| InChIKey | WQBFKMDNHGOHLL-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H27O3P |
| Exact Mass | 298.169782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUDUSQw6gKy |
|---|---|
| Name | Butylphosphonic acid, hexyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.169781724 u |
| Formula | C16H27O3P |
| InChI | InChI=1S/C16H27O3P/c1-3-5-7-11-14-18-20(17,15-6-4-2)19-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3 |
| InChIKey | WQBFKMDNHGOHLL-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | CCCCCCOP(CCCC)(=O)OC1=CC=CC=C1 |