| SpectraBase Compound ID | 4FsroJbpsKB |
|---|---|
| InChI | InChI=1S/C22H47O3P/c1-5-9-12-13-14-15-16-17-20-24-26(23,21-11-7-3)25-22(18-8-4)19-10-6-2/h22H,5-21H2,1-4H3 |
| InChIKey | QXZZTWQUMVBJQF-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C22H47O3P |
| Exact Mass | 390.326282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27YsH4g6Qeb |
|---|---|
| Name | Butylphosphonic acid, 4-octyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.326282368 u |
| Formula | C22H47O3P |
| InChI | InChI=1S/C22H47O3P/c1-5-9-12-13-14-15-16-17-20-24-26(23,21-11-7-3)25-22(18-8-4)19-10-6-2/h22H,5-21H2,1-4H3 |
| InChIKey | QXZZTWQUMVBJQF-UHFFFAOYSA-N |
| Molecular Weight | 390.589 g/mol |
| SMILES | CCCCCCCCCCOP(OC(CCC)CCCC)(CCCC)=O |