| SpectraBase Compound ID | EUhZ9GtQi9u |
|---|---|
| InChI | InChI=1S/C17H29O3P/c1-6-7-12-21(18,19-13-14(2)3)20-17-10-8-16(9-11-17)15(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3 |
| InChIKey | XYWLRTVVAUZRNH-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 | 2GF88uQTGeJ |
|---|---|
| Name | Butylphosphonic acid, 4-isopropylphenyl isobutyl 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/c1-6-7-12-21(18,19-13-14(2)3)20-17-10-8-16(9-11-17)15(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3 |
| InChIKey | XYWLRTVVAUZRNH-UHFFFAOYSA-N |
| Molecular Weight | 312.390 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C)C)OP(CCCC)(OCC(C)C)=O |