| SpectraBase Compound ID | EHei1flQU29 |
|---|---|
| InChI | InChI=1S/C15H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(19)20-13-15(16,17)18/h2-13H2,1H3 |
| InChIKey | BYRCWBMBPNUJCB-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C15H27F3O2 |
| Exact Mass | 296.196315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcUaZZlWrnl |
|---|---|
| Name | Tridecanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.196314596 u |
| Formula | C15H27F3O2 |
| InChI | InChI=1S/C15H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(19)20-13-15(16,17)18/h2-13H2,1H3 |
| InChIKey | BYRCWBMBPNUJCB-UHFFFAOYSA-N |
| Molecular Weight | 296.374 g/mol |
| SMILES | C(CCCCCCC(=O)OCC(F)(F)F)CCCCC |