| SpectraBase Compound ID | 3vq12fOX2OE |
|---|---|
| InChI | InChI=1S/C9H8F8O3/c1-3-20-5(19)7(12,13)9(16,17)8(14,15)6(10,11)4(2)18/h3H2,1-2H3 |
| InChIKey | ROJRLFFGWHIHAD-UHFFFAOYSA-N |
| Mol Weight | 316.15 g/mol |
| Molecular Formula | C9H8F8O3 |
| Exact Mass | 316.034569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80Kvgb1ReEW |
|---|---|
| Name | Ethyl 2,2,3,3,4,4,5,5-octafluoro-6-oxoheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.034569419 u |
| Formula | C9H8F8O3 |
| InChI | InChI=1S/C9H8F8O3/c1-3-20-5(19)7(12,13)9(16,17)8(14,15)6(10,11)4(2)18/h3H2,1-2H3 |
| InChIKey | ROJRLFFGWHIHAD-UHFFFAOYSA-N |
| Molecular Weight | 316.147 g/mol |
| SMILES | C(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)=O |