| SpectraBase Compound ID | BbLTrDCjqxF |
|---|---|
| InChI | InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3 |
| InChIKey | JELHWUPDJFSSDO-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C22H41F3O2 |
| Exact Mass | 394.305865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IasE55eMx2s |
|---|---|
| Name | Eicosyl trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.305865047 u |
| Formula | C22H41F3O2 |
| InChI | InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3 |
| InChIKey | JELHWUPDJFSSDO-UHFFFAOYSA-N |
| Molecular Weight | 394.563 g/mol |
| SMILES | C(C(F)(F)F)(OCCCCCCCCCCCCCCCCCCCC)=O |