| SpectraBase Compound ID | HXXAtDhsmwc |
|---|---|
| InChI | InChI=1S/C17H35O3P/c1-4-5-14-21(18,19-13-9-10-16(2)3)20-15-17-11-7-6-8-12-17/h16-17H,4-15H2,1-3H3 |
| InChIKey | DJADKBWCBXZZND-UHFFFAOYSA-N |
| Mol Weight | 318.4 g/mol |
| Molecular Formula | C17H35O3P |
| Exact Mass | 318.232382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bL5fQSfDJe |
|---|---|
| Name | Butylphosphonic acid, cyclohexylmethyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.232381982 u |
| Formula | C17H35O3P |
| InChI | InChI=1S/C17H35O3P/c1-4-5-14-21(18,19-13-9-10-16(2)3)20-15-17-11-7-6-8-12-17/h16-17H,4-15H2,1-3H3 |
| InChIKey | DJADKBWCBXZZND-UHFFFAOYSA-N |
| Molecular Weight | 318.438 g/mol |
| SMILES | CC(C)CCCOP(CCCC)(=O)OCC1CCCCC1 |