| SpectraBase Compound ID | 2aYvvpiuLV1 |
|---|---|
| InChI | InChI=1S/C8H13F3O2/c1-3-6(2)4-5-13-7(12)8(9,10)11/h6H,3-5H2,1-2H3 |
| InChIKey | AINBMTUYOCFLII-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 | 89TvkHI76si |
|---|---|
| Name | 3-Methylpentan-1-yl trifluoroacetate |
| 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/c1-3-6(2)4-5-13-7(12)8(9,10)11/h6H,3-5H2,1-2H3 |
| InChIKey | AINBMTUYOCFLII-UHFFFAOYSA-N |
| Molecular Weight | 198.185 g/mol |
| SMILES | CCC(C)CCOC(C(F)(F)F)=O |