| SpectraBase Compound ID | 3Ut0a0gXijq |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-5-7-11-18-20(17,12-8-6-2)19-16-10-9-14(3)15(4)13-16/h9-10,13H,5-8,11-12H2,1-4H3 |
| InChIKey | UQEAPSVEXAAMKR-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 | CQnMflx6OMT |
|---|---|
| Name | Butylphosphonic acid, butyl 3,4-dimethylphenyl 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/c1-5-7-11-18-20(17,12-8-6-2)19-16-10-9-14(3)15(4)13-16/h9-10,13H,5-8,11-12H2,1-4H3 |
| InChIKey | UQEAPSVEXAAMKR-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | C1(=CC=C(C=C1C)OP(CCCC)(OCCCC)=O)C |