| SpectraBase Compound ID | CHgT2MKSiZD |
|---|---|
| InChI | InChI=1S/C17H29O3P/c1-6-12-19-21(18,16-10-8-7-9-11-16)20-14-15(2)13-17(3,4)5/h7-11,15H,6,12-14H2,1-5H3 |
| InChIKey | RNTABEDZZHSJIZ-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 | XLEItRkuym |
|---|---|
| Name | Phenylphosphonic acid, 2,4,4-trimethylpentyl 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/c1-6-12-19-21(18,16-10-8-7-9-11-16)20-14-15(2)13-17(3,4)5/h7-11,15H,6,12-14H2,1-5H3 |
| InChIKey | RNTABEDZZHSJIZ-UHFFFAOYSA-N |
| Molecular Weight | 312.390 g/mol |
| SMILES | C1(=CC=CC=C1)P(OCC(CC(C)(C)C)C)(=O)OCCC |