| SpectraBase Compound ID | HnB346SzENu |
|---|---|
| InChI | InChI=1S/C21H36ClO3P/c1-3-5-7-8-9-10-11-12-13-18-24-26(23,19-6-4-2)25-21-16-14-20(22)15-17-21/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | AFONWNNLEQNJQK-UHFFFAOYSA-N |
| Mol Weight | 402.9 g/mol |
| Molecular Formula | C21H36ClO3P |
| Exact Mass | 402.20906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTTK9zY8b0u |
|---|---|
| Name | Butylphosphonic acid, 4-chlorophenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.209059714 u |
| Formula | C21H36ClO3P |
| InChI | InChI=1S/C21H36ClO3P/c1-3-5-7-8-9-10-11-12-13-18-24-26(23,19-6-4-2)25-21-16-14-20(22)15-17-21/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | AFONWNNLEQNJQK-UHFFFAOYSA-N |
| Molecular Weight | 402.943 g/mol |
| SMILES | CCCCCCCCCCCOP(CCCC)(=O)OC1=CC=C(C=C1)Cl |