| SpectraBase Compound ID | 7CBAPtPQ1E2 |
|---|---|
| InChI | InChI=1S/C18H31O3P/c1-5-7-9-10-11-20-22(19,12-8-6-2)21-18-14-16(3)13-17(4)15-18/h13-15H,5-12H2,1-4H3 |
| InChIKey | JBKCRGUSPCVZRO-UHFFFAOYSA-N |
| Mol Weight | 326.42 g/mol |
| Molecular Formula | C18H31O3P |
| Exact Mass | 326.201082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RSPfQjO7kt |
|---|---|
| Name | Butylphosphonic acid, 3,5-dimethylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.201081853 u |
| Formula | C18H31O3P |
| InChI | InChI=1S/C18H31O3P/c1-5-7-9-10-11-20-22(19,12-8-6-2)21-18-14-16(3)13-17(4)15-18/h13-15H,5-12H2,1-4H3 |
| InChIKey | JBKCRGUSPCVZRO-UHFFFAOYSA-N |
| Molecular Weight | 326.417 g/mol |
| SMILES | C(CCCOP(CCCC)(=O)OC1=CC(C)=CC(C)=C1)CC |