| SpectraBase Compound ID | 5AmPKfHW5lW |
|---|---|
| InChI | InChI=1S/C22H47O4P/c1-5-8-11-13-15-22(16-19-24-4)17-20-26-27(23,21-10-7-3)25-18-14-12-9-6-2/h22H,5-21H2,1-4H3 |
| InChIKey | GXSVAVUICAFMMQ-UHFFFAOYSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C22H47O4P |
| Exact Mass | 406.321197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SSykZfSvWV |
|---|---|
| Name | Butylphosphonic acid, hexyl 3-(2-methoxyethyl)nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.321196987 u |
| Formula | C22H47O4P |
| InChI | InChI=1S/C22H47O4P/c1-5-8-11-13-15-22(16-19-24-4)17-20-26-27(23,21-10-7-3)25-18-14-12-9-6-2/h22H,5-21H2,1-4H3 |
| InChIKey | GXSVAVUICAFMMQ-UHFFFAOYSA-N |
| Molecular Weight | 406.588 g/mol |
| SMILES | CCCCCCOP(OCCC(CCOC)CCCCCC)(CCCC)=O |