| SpectraBase Compound ID | AMNj8wAXFvm |
|---|---|
| InChI | InChI=1S/C17H29O3P/c1-4-5-14-21(18,20-15-16(2)3)19-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3 |
| InChIKey | SXKQWMDASNDWSO-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 | 1kTf61AAN5x |
|---|---|
| Name | Butylphosphonic acid, isobutyl 3-phenylpropyl 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/c1-4-5-14-21(18,20-15-16(2)3)19-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3 |
| InChIKey | SXKQWMDASNDWSO-UHFFFAOYSA-N |
| Molecular Weight | 312.390 g/mol |
| SMILES | C(CCOP(CCCC)(OCC(C)C)=O)C1=CC=CC=C1 |