| SpectraBase Compound ID | 9WyTAeMEWdq |
|---|---|
| InChI | InChI=1S/C6H5F5O2/c1-3(12)2-4(13)5(7,8)6(9,10)11/h2,13H,1H3/b4-2- |
| InChIKey | JMBAFOVPLUKYBR-RQOWECAXSA-N |
| Mol Weight | 204.1 g/mol |
| Molecular Formula | C6H5F5O2 |
| Exact Mass | 204.02097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vOGicmKT5U |
|---|---|
| Name | 1,1,1,2,2-Pentafluoro-3,5-dioxohexane, enol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.020970214 u |
| Formula | C6H5F5O2 |
| InChI | InChI=1S/C6H5F5O2/c1-3(12)2-4(13)5(7,8)6(9,10)11/h2,13H,1H3/b4-2- |
| InChIKey | JMBAFOVPLUKYBR-RQOWECAXSA-N |
| Molecular Weight | 204.096 g/mol |
| SMILES | O\C(=C/C(=O)C)C(C(F)(F)F)(F)F |