| SpectraBase Compound ID | 40FR1csS2qc |
|---|---|
| InChI | InChI=1S/C11H11F7O2/c1-3-5-7(6-4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h3-4,7H,1-2,5-6H2 |
| InChIKey | PHJAIHWJRQETNC-UHFFFAOYSA-N |
| Mol Weight | 308.2 g/mol |
| Molecular Formula | C11H11F7O2 |
| Exact Mass | 308.064727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUYW4lv288O |
|---|---|
| Name | 1,6-Heptadien-4-ol , heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.064726733 u |
| Formula | C11H11F7O2 |
| InChI | InChI=1S/C11H11F7O2/c1-3-5-7(6-4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h3-4,7H,1-2,5-6H2 |
| InChIKey | PHJAIHWJRQETNC-UHFFFAOYSA-N |
| Molecular Weight | 308.196 g/mol |
| SMILES | C=CCC(CC=C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |