| SpectraBase Compound ID | 6iET59VIAOf |
|---|---|
| InChI | InChI=1S/C19H33O3P/c1-4-6-7-8-12-16-21-23(20,19-14-10-9-11-15-19)22-17-18(3)13-5-2/h9-11,14-15,18H,4-8,12-13,16-17H2,1-3H3 |
| InChIKey | NCGWXDUHIFHGPN-UHFFFAOYSA-N |
| Mol Weight | 340.4 g/mol |
| Molecular Formula | C19H33O3P |
| Exact Mass | 340.216732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7SkgROH65B |
|---|---|
| Name | Phenylphosphonic acid, heptyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.216731918 u |
| Formula | C19H33O3P |
| InChI | InChI=1S/C19H33O3P/c1-4-6-7-8-12-16-21-23(20,19-14-10-9-11-15-19)22-17-18(3)13-5-2/h9-11,14-15,18H,4-8,12-13,16-17H2,1-3H3 |
| InChIKey | NCGWXDUHIFHGPN-UHFFFAOYSA-N |
| Molecular Weight | 340.444 g/mol |
| SMILES | CCCCCCCOP(C1=CC=CC=C1)(=O)OCC(CCC)C |