| SpectraBase Compound ID | 11P9r5kKCW0 |
|---|---|
| InChI | InChI=1S/C18H31O3P/c1-3-5-7-11-15-20-22(19,17-6-4-2)21-16-14-18-12-9-8-10-13-18/h8-10,12-13H,3-7,11,14-17H2,1-2H3 |
| InChIKey | AWARKYBFMSGUTI-UHFFFAOYSA-N |
| Mol Weight | 326.42 g/mol |
| Molecular Formula | C18H31O3P |
| Exact Mass | 326.201082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WatfH9AuOW |
|---|---|
| Name | Butylphosphonic acid, hexyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.201081853 u |
| Formula | C18H31O3P |
| InChI | InChI=1S/C18H31O3P/c1-3-5-7-11-15-20-22(19,17-6-4-2)21-16-14-18-12-9-8-10-13-18/h8-10,12-13H,3-7,11,14-17H2,1-2H3 |
| InChIKey | AWARKYBFMSGUTI-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | C(OP(CCCC)(=O)OCCCCCC)CC1=CC=CC=C1 |