| SpectraBase Compound ID | 69guZT51KsO |
|---|---|
| InChI | InChI=1S/C8H13F3O2/c1-7(2,3)4-6(12)13-5-8(9,10)11/h4-5H2,1-3H3 |
| InChIKey | JROOVBJVCOKXHT-UHFFFAOYSA-N |
| Mol Weight | 198.19 g/mol |
| Molecular Formula | C8H13F3O2 |
| Exact Mass | 198.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28N5iCGPfOL |
|---|---|
| Name | 3,3-Dimethylbutyric acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.086764146 u |
| Formula | C8H13F3O2 |
| InChI | InChI=1S/C8H13F3O2/c1-7(2,3)4-6(12)13-5-8(9,10)11/h4-5H2,1-3H3 |
| InChIKey | JROOVBJVCOKXHT-UHFFFAOYSA-N |
| Molecular Weight | 198.185 g/mol |
| SMILES | CC(CC(OCC(F)(F)F)=O)(C)C |