| SpectraBase Compound ID | IwHl05gYCSx |
|---|---|
| InChI | InChI=1S/C18H31O3P/c1-5-7-11-14-20-22(19,15-8-6-2)21-18-13-10-9-12-17(18)16(3)4/h9-10,12-13,16H,5-8,11,14-15H2,1-4H3 |
| InChIKey | RBEBYOFKPAENTP-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 | 6Ie6hnC0FXx |
|---|---|
| Name | Butylphosphonic acid, 2-isopropylphenyl pentyl 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/c1-5-7-11-14-20-22(19,15-8-6-2)21-18-13-10-9-12-17(18)16(3)4/h9-10,12-13,16H,5-8,11,14-15H2,1-4H3 |
| InChIKey | RBEBYOFKPAENTP-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | CCCCCOP(OC1=CC=CC=C1C(C)C)(CCCC)=O |