| SpectraBase Compound ID | GqRTNyl5naQ |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-6-7-10-20(17,18-12-13(2)3)19-16-9-8-14(4)15(5)11-16/h8-9,11,13H,6-7,10,12H2,1-5H3 |
| InChIKey | BYNOKTASLNLLSI-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 | I6GUOk5WGBD |
|---|---|
| Name | Butylphosphonic acid, 3,4-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/c1-6-7-10-20(17,18-12-13(2)3)19-16-9-8-14(4)15(5)11-16/h8-9,11,13H,6-7,10,12H2,1-5H3 |
| InChIKey | BYNOKTASLNLLSI-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | C1=C(C=C(C(=C1)C)C)OP(CCCC)(OCC(C)C)=O |