| SpectraBase Compound ID | KnFFGXkSuQ8 |
|---|---|
| InChI | InChI=1S/C18H31O3P/c1-4-6-8-9-10-14-20-22(19,15-7-5-2)21-18-13-11-12-17(3)16-18/h11-13,16H,4-10,14-15H2,1-3H3 |
| InChIKey | WNGONVVLHALDMZ-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 | HGni2t0ElDs |
|---|---|
| Name | Butylphosphonic acid, heptyl 3-methylphenyl 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/c1-4-6-8-9-10-14-20-22(19,15-7-5-2)21-18-13-11-12-17(3)16-18/h11-13,16H,4-10,14-15H2,1-3H3 |
| InChIKey | WNGONVVLHALDMZ-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | C1=C(C=C(C=C1)C)OP(CCCC)(OCCCCCCC)=O |