| SpectraBase Compound ID | 5jr0ePg5ykq |
|---|---|
| InChI | InChI=1S/C20H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h9-10H,2-8,11-18H2,1H3/b10-9+ |
| InChIKey | WSMZECZWBYFZEY-MDZDMXLPSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C20H35F3O2 |
| Exact Mass | 364.258915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WPARuomd93 |
|---|---|
| Name | 9-Octadecenoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.258914854 u |
| Formula | C20H35F3O2 |
| InChI | InChI=1S/C20H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h9-10H,2-8,11-18H2,1H3/b10-9+ |
| InChIKey | WSMZECZWBYFZEY-MDZDMXLPSA-N |
| Molecular Weight | 364.493 g/mol |
| SMILES | CCCCCCCC\C=C\CCCCCCCC(=O)OCC(F)(F)F |