| SpectraBase Compound ID | AqWQ0McvZFN |
|---|---|
| InChI | InChI=1S/C18H31O3P/c1-15(2)13-20-22(19,17-10-8-7-9-11-17)21-14-16(3)12-18(4,5)6/h7-11,15-16H,12-14H2,1-6H3 |
| InChIKey | ZEZVLPHQJRAYKO-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 | GYit3yCJ2QE |
|---|---|
| Name | Phenylphosphonic acid, 2,4,4-trimethylpentyl isobutyl 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/c1-15(2)13-20-22(19,17-10-8-7-9-11-17)21-14-16(3)12-18(4,5)6/h7-11,15-16H,12-14H2,1-6H3 |
| InChIKey | ZEZVLPHQJRAYKO-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | C1(=CC=CC=C1)P(=O)(OCC(C)C)OCC(CC(C)(C)C)C |