| SpectraBase Compound ID | 3rmjNExtKxi |
|---|---|
| InChI | InChI=1S/C17H29O3P/c1-4-7-12-16(11-5-2)20-21(18,19-15-6-3)17-13-9-8-10-14-17/h8-10,13-14,16H,4-7,11-12,15H2,1-3H3 |
| InChIKey | PHGLLPGYZMLYSK-UHFFFAOYSA-N |
| Mol Weight | 312.39 g/mol |
| Molecular Formula | C17H29O3P |
| Exact Mass | 312.185432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63ZWmbTXAO7 |
|---|---|
| Name | Phenylphosphonic acid, 4-octyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.185431789 u |
| Formula | C17H29O3P |
| InChI | InChI=1S/C17H29O3P/c1-4-7-12-16(11-5-2)20-21(18,19-15-6-3)17-13-9-8-10-14-17/h8-10,13-14,16H,4-7,11-12,15H2,1-3H3 |
| InChIKey | PHGLLPGYZMLYSK-UHFFFAOYSA-N |
| Molecular Weight | 312.390 g/mol |
| SMILES | C1(=CC=CC=C1)P(=O)(OCCC)OC(CCCC)CCC |