| SpectraBase Compound ID | AWfhTghhqoV |
|---|---|
| InChI | InChI=1S/C23H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27)28-21-23(24,25)26/h2-21H2,1H3 |
| InChIKey | YVZDIWJNTOMJFV-UHFFFAOYSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C23H43F3O2 |
| Exact Mass | 408.321515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23SETS9Ce6j |
|---|---|
| Name | Heneicosanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.321515112 u |
| Formula | C23H43F3O2 |
| InChI | InChI=1S/C23H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27)28-21-23(24,25)26/h2-21H2,1H3 |
| InChIKey | YVZDIWJNTOMJFV-UHFFFAOYSA-N |
| Molecular Weight | 408.590 g/mol |
| SMILES | C(CCCCCCCCCCCCC(OCC(F)(F)F)=O)CCCCCCC |