| SpectraBase Compound ID | DgYbAaGxZzm |
|---|---|
| InChI | InChI=1S/C17H34ClO3P/c1-3-5-7-10-13-20-22(19,14-6-4-2)21-15-16-11-8-9-12-17(16)18/h16-17H,3-15H2,1-2H3 |
| InChIKey | BJNDIOFEXFZOOP-UHFFFAOYSA-N |
| Mol Weight | 352.9 g/mol |
| Molecular Formula | C17H34ClO3P |
| Exact Mass | 352.19341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6kb1q2aUJs |
|---|---|
| Name | Butylphosphonic acid, 2-chlorocyclohexylmethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.193409650 u |
| Formula | C17H34ClO3P |
| InChI | InChI=1S/C17H34ClO3P/c1-3-5-7-10-13-20-22(19,14-6-4-2)21-15-16-11-8-9-12-17(16)18/h16-17H,3-15H2,1-2H3 |
| InChIKey | BJNDIOFEXFZOOP-UHFFFAOYSA-N |
| Molecular Weight | 352.883 g/mol |
| SMILES | CCCCCCOP(CCCC)(=O)OCC1C(CCCC1)Cl |