| SpectraBase Compound ID | CsDHr5648Sd |
|---|---|
| InChI | InChI=1S/C24H45F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-23(28)24(25,26)27/h2-22H2,1H3 |
| InChIKey | CNPFIRPKOQTKAO-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C24H45F3O2 |
| Exact Mass | 422.337165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Chcs0G7acsI |
|---|---|
| Name | Docosyl trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.337165176 u |
| Formula | C24H45F3O2 |
| InChI | InChI=1S/C24H45F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-23(28)24(25,26)27/h2-22H2,1H3 |
| InChIKey | CNPFIRPKOQTKAO-UHFFFAOYSA-N |
| Molecular Weight | 422.617 g/mol |
| SMILES | C(C(F)(F)F)(OCCCCCCCCCCCCCCCCCCCCCC)=O |