| SpectraBase Compound ID | 5myN3sgm16W |
|---|---|
| InChI | InChI=1S/C8H13F3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,3-5H2,1-2H3 |
| InChIKey | TXLRKFWFZMQEOY-UHFFFAOYSA-N |
| Mol Weight | 198.19 g/mol |
| Molecular Formula | C8H13F3O2 |
| Exact Mass | 198.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Lpt1iPe0NIj |
|---|---|
| Name | Hexan-3-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/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,3-5H2,1-2H3 |
| InChIKey | TXLRKFWFZMQEOY-UHFFFAOYSA-N |
| Molecular Weight | 198.185 g/mol |
| SMILES | CCCC(OC(C(F)(F)F)=O)CC |