| SpectraBase Compound ID | KJAheLyVMsN |
|---|---|
| InChI | InChI=1S/C11H19F3O2/c1-2-3-4-5-6-7-8-16-10(15)9-11(12,13)14/h2-9H2,1H3 |
| InChIKey | XLBNISJOUFHFBQ-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 | HM8Dfc7eEaG |
|---|---|
| Name | Octyl 3,3,3-trifluoropropanoate |
| 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/c1-2-3-4-5-6-7-8-16-10(15)9-11(12,13)14/h2-9H2,1H3 |
| InChIKey | XLBNISJOUFHFBQ-UHFFFAOYSA-N |
| Molecular Weight | 240.266 g/mol |
| SMILES | C(CC(=O)OCCCCCCCC)(F)(F)F |