| SpectraBase Compound ID | 5gbOMoV7PJS |
|---|---|
| InChI | InChI=1S/C11H19F3O2/c1-3-5-6-7-9(4-2)8-16-10(15)11(12,13)14/h9H,3-8H2,1-2H3 |
| InChIKey | CPMPWGBDQTVNJP-UHFFFAOYSA-N |
| Mol Weight | 240.27 g/mol |
| Molecular Formula | C11H19F3O2 |
| Exact Mass | 240.133714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXfWgQM9hID |
|---|---|
| Name | Trifluoroacetic acid, 1-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.133714339 u |
| Formula | C11H19F3O2 |
| InChI | InChI=1S/C11H19F3O2/c1-3-5-6-7-9(4-2)8-16-10(15)11(12,13)14/h9H,3-8H2,1-2H3 |
| InChIKey | CPMPWGBDQTVNJP-UHFFFAOYSA-N |
| Molecular Weight | 240.266 g/mol |
| SMILES | C(F)(F)(F)C(OCC(CCCCC)CC)=O |