| SpectraBase Compound ID | Lq6uRLiYtds |
|---|---|
| InChI | InChI=1S/C22H39O3P/c1-3-5-7-8-9-10-11-12-13-17-21-25-26(23,24-20-6-4-2)22-18-15-14-16-19-22/h14-16,18-19H,3-13,17,20-21H2,1-2H3 |
| InChIKey | XQDRHBJCMWPCLO-UHFFFAOYSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C22H39O3P |
| Exact Mass | 382.263682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AmJb2OJEbI |
|---|---|
| Name | Phenylphosphonic acid, butyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.263682111 u |
| Formula | C22H39O3P |
| InChI | InChI=1S/C22H39O3P/c1-3-5-7-8-9-10-11-12-13-17-21-25-26(23,24-20-6-4-2)22-18-15-14-16-19-22/h14-16,18-19H,3-13,17,20-21H2,1-2H3 |
| InChIKey | XQDRHBJCMWPCLO-UHFFFAOYSA-N |
| Molecular Weight | 382.525 g/mol |
| SMILES | C1(=CC=CC=C1)P(OCCCC)(OCCCCCCCCCCCC)=O |