| SpectraBase Compound ID | 1q3Fe6XzpWX |
|---|---|
| InChI | InChI=1S/C19H33O3P/c1-5-7-9-10-11-14-21-23(20,15-8-6-2)22-19-13-12-17(3)18(4)16-19/h12-13,16H,5-11,14-15H2,1-4H3 |
| InChIKey | XWEAWFCVOPATCX-UHFFFAOYSA-N |
| Mol Weight | 340.4 g/mol |
| Molecular Formula | C19H33O3P |
| Exact Mass | 340.216732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ja2jrTTzY76 |
|---|---|
| Name | Butylphosphonic acid, 3,4-dimethylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.216731918 u |
| Formula | C19H33O3P |
| InChI | InChI=1S/C19H33O3P/c1-5-7-9-10-11-14-21-23(20,15-8-6-2)22-19-13-12-17(3)18(4)16-19/h12-13,16H,5-11,14-15H2,1-4H3 |
| InChIKey | XWEAWFCVOPATCX-UHFFFAOYSA-N |
| Molecular Weight | 340.444 g/mol |
| SMILES | CCCCCCCOP(OC1=CC(=C(C=C1)C)C)(CCCC)=O |