| SpectraBase Compound ID | BuigSXwFsM9 |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-4-5-14-20(17,18-13-9-10-15(2)3)19-16-11-7-6-8-12-16/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3 |
| InChIKey | KBZGBICNVQHZFM-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 | CZQ0gILG377 |
|---|---|
| Name | Butylphosphonic acid, isohexyl 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/c1-4-5-14-20(17,18-13-9-10-15(2)3)19-16-11-7-6-8-12-16/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3 |
| InChIKey | KBZGBICNVQHZFM-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | CC(C)CCCOP(CCCC)(=O)OC1=CC=CC=C1 |