| SpectraBase Compound ID | 7TprZeEKcIn |
|---|---|
| InChI | InChI=1S/C8H11F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-3H,4-6H2,1H3/b3-2+ |
| InChIKey | VGZQUSPVQQXMSU-NSCUHMNNSA-N |
| Mol Weight | 196.17 g/mol |
| Molecular Formula | C8H11F3O2 |
| Exact Mass | 196.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6ABAREo7Ze |
|---|---|
| Name | 4-Hexen-1-ol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.071114081 u |
| Formula | C8H11F3O2 |
| InChI | InChI=1S/C8H11F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-3H,4-6H2,1H3/b3-2+ |
| InChIKey | VGZQUSPVQQXMSU-NSCUHMNNSA-N |
| Molecular Weight | 196.169 g/mol |
| SMILES | C\C=C\CCCOC(C(F)(F)F)=O |