| SpectraBase Compound ID | 2fRCZU1RHGe |
|---|---|
| InChI | InChI=1S/C20H35O3P/c1-5-7-9-10-11-12-13-22-24(21,14-8-6-2)23-20-16-18(3)15-19(4)17-20/h15-17H,5-14H2,1-4H3 |
| InChIKey | LBSAXYPNBVDQCL-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H35O3P |
| Exact Mass | 354.232382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7omA88S7rPU |
|---|---|
| Name | Butylphosphonic acid, 3,5-dimethylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.232381982 u |
| Formula | C20H35O3P |
| InChI | InChI=1S/C20H35O3P/c1-5-7-9-10-11-12-13-22-24(21,14-8-6-2)23-20-16-18(3)15-19(4)17-20/h15-17H,5-14H2,1-4H3 |
| InChIKey | LBSAXYPNBVDQCL-UHFFFAOYSA-N |
| Molecular Weight | 354.471 g/mol |
| SMILES | C(CCCOP(CCCC)(=O)OC1=CC(C)=CC(C)=C1)CCCC |