| SpectraBase Compound ID | LtURGcHnGS |
|---|---|
| InChI | InChI=1S/C20H35O3P/c1-3-5-7-8-9-13-17-22-24(21,19-6-4-2)23-18-16-20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-19H2,1-2H3 |
| InChIKey | GAWDUARCJXJUOT-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H35O3P |
| Exact Mass | 354.232382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AO4CDzm99FX |
|---|---|
| Name | Butylphosphonic acid, octyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.232381982 u |
| Formula | C20H35O3P |
| InChI | InChI=1S/C20H35O3P/c1-3-5-7-8-9-13-17-22-24(21,19-6-4-2)23-18-16-20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-19H2,1-2H3 |
| InChIKey | GAWDUARCJXJUOT-UHFFFAOYSA-N |
| Molecular Weight | 354.471 g/mol |
| SMILES | C(OP(CCCC)(=O)OCCCCCCCC)CC1=CC=CC=C1 |