| SpectraBase Compound ID | 5pspJBV4jwF |
|---|---|
| InChI | InChI=1S/C8H11F3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h3,6H,1,4-5H2,2H3 |
| InChIKey | ANLKTRRHNHAABC-UHFFFAOYSA-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 | Eez49TyFjAU |
|---|---|
| Name | 5-Hexen-3-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/c1-3-5-6(4-2)13-7(12)8(9,10)11/h3,6H,1,4-5H2,2H3 |
| InChIKey | ANLKTRRHNHAABC-UHFFFAOYSA-N |
| Molecular Weight | 196.169 g/mol |
| SMILES | C(F)(F)(F)C(OC(CC=C)CC)=O |