| SpectraBase Compound ID | 8AKP0eJknrq |
|---|---|
| InChI | InChI=1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3 |
| InChIKey | DEXWRCYOMLUJRF-UHFFFAOYSA-N |
| Mol Weight | 170.13 g/mol |
| Molecular Formula | C6H9F3O2 |
| Exact Mass | 170.055464 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G01IQxURY0f |
|---|---|
| Name | 2,2,2-Trifluoroethyl butyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.055464017 u |
| Formula | C6H9F3O2 |
| InChI | InChI=1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3 |
| InChIKey | DEXWRCYOMLUJRF-UHFFFAOYSA-N |
| Molecular Weight | 170.131 g/mol |
| SMILES | C(CCC)(=O)OCC(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.986083 |