| SpectraBase Compound ID | 69Xdt8j0Fvt |
|---|---|
| InChI | InChI=1S/C10H17F3O2/c1-2-3-4-5-6-7-9(14)15-8-10(11,12)13/h2-8H2,1H3 |
| InChIKey | KDTCNLAFTGCTMM-UHFFFAOYSA-N |
| Mol Weight | 226.24 g/mol |
| Molecular Formula | C10H17F3O2 |
| Exact Mass | 226.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSdQjL27NKt |
|---|---|
| Name | Octanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.118064274 u |
| Formula | C10H17F3O2 |
| InChI | InChI=1S/C10H17F3O2/c1-2-3-4-5-6-7-9(14)15-8-10(11,12)13/h2-8H2,1H3 |
| InChIKey | KDTCNLAFTGCTMM-UHFFFAOYSA-N |
| Molecular Weight | 226.239 g/mol |
| SMILES | CCCCCCCC(=O)OCC(F)(F)F |