| SpectraBase Compound ID | FGDqBjR6LS2 |
|---|---|
| InChI | InChI=1S/C17H29O3P/c1-5-7-13-19-21(18,14-8-6-2)20-17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3 |
| InChIKey | VUCVIWXWIPJVNK-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 | EYa1dFhnJ34 |
|---|---|
| Name | Butylphosphonic acid, butyl 2-isopropylphenyl 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/c1-5-7-13-19-21(18,14-8-6-2)20-17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3 |
| InChIKey | VUCVIWXWIPJVNK-UHFFFAOYSA-N |
| Molecular Weight | 312.390 g/mol |
| SMILES | CCCCOP(OC1=CC=CC=C1C(C)C)(CCCC)=O |