| SpectraBase Compound ID | AakzuRZ5ZDy |
|---|---|
| InChI | InChI=1S/C21H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19(27)20(22,23)21(24,25)26/h2-18H2,1H3 |
| InChIKey | KNCMVQBRQJKYNM-UHFFFAOYSA-N |
| Mol Weight | 416.5 g/mol |
| Molecular Formula | C21H37F5O2 |
| Exact Mass | 416.271371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62Ftb7t0Iiq |
|---|---|
| Name | Pentafluoropropionic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.271371244 u |
| Formula | C21H37F5O2 |
| InChI | InChI=1S/C21H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19(27)20(22,23)21(24,25)26/h2-18H2,1H3 |
| InChIKey | KNCMVQBRQJKYNM-UHFFFAOYSA-N |
| Molecular Weight | 416.517 g/mol |
| SMILES | C(C(=O)OCCCCCCCCCCCCCCCCCC)(C(F)(F)F)(F)F |