| SpectraBase Compound ID | JTFTNekPJew |
|---|---|
| InChI | InChI=1S/C10H11F7O2/c1-2-3-4-5-6-19-7(18)8(11,12)9(13,14)10(15,16)17/h4-5H,2-3,6H2,1H3/b5-4- |
| InChIKey | IXFGOLVXYZBQKQ-PLNGDYQASA-N |
| Mol Weight | 296.18 g/mol |
| Molecular Formula | C10H11F7O2 |
| Exact Mass | 296.064727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJaFstuL06Q |
|---|---|
| Name | cis-2-Hexen-1-ol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.064726733 u |
| Formula | C10H11F7O2 |
| InChI | InChI=1S/C10H11F7O2/c1-2-3-4-5-6-19-7(18)8(11,12)9(13,14)10(15,16)17/h4-5H,2-3,6H2,1H3/b5-4- |
| InChIKey | IXFGOLVXYZBQKQ-PLNGDYQASA-N |
| Molecular Weight | 296.185 g/mol |
| SMILES | CCC\C=C/COC(=O)C(C(C(F)(F)F)(F)F)(F)F |