| SpectraBase Compound ID | 6DgKawzTqus |
|---|---|
| InChI | InChI=1S/C24H43F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-22(30)23(25,26)24(27,28)29/h2-21H2,1H3 |
| InChIKey | YUWKLSZGOWPPPE-UHFFFAOYSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C24H43F5O2 |
| Exact Mass | 458.318321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Huf7UVacfe |
|---|---|
| Name | Heneicosyl pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.318321438 u |
| Formula | C24H43F5O2 |
| InChI | InChI=1S/C24H43F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-22(30)23(25,26)24(27,28)29/h2-21H2,1H3 |
| InChIKey | YUWKLSZGOWPPPE-UHFFFAOYSA-N |
| Molecular Weight | 458.598 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(F)(F)F)(F)F |