| SpectraBase Compound ID | 2yeGVwzx705 |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-6-7-8-20(17,18-12-13(2)3)19-16-10-14(4)9-15(5)11-16/h9-11,13H,6-8,12H2,1-5H3 |
| InChIKey | SLNPGMCBFYCWGR-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H27O3P |
| Exact Mass | 298.169782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Jej6nO7udW |
|---|---|
| Name | Butylphosphonic acid, 3,5-dimethylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.169781724 u |
| Formula | C16H27O3P |
| InChI | InChI=1S/C16H27O3P/c1-6-7-8-20(17,18-12-13(2)3)19-16-10-14(4)9-15(5)11-16/h9-11,13H,6-8,12H2,1-5H3 |
| InChIKey | SLNPGMCBFYCWGR-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | CC(COP(CCCC)(=O)OC1=CC(C)=CC(C)=C1)C |