| SpectraBase Compound ID | DLpE4p1HXmf |
|---|---|
| InChI | InChI=1S/C7H7F3O3/c1-4(13-5(2)11)3-6(12)7(8,9)10/h3H,1-2H3/b4-3+ |
| InChIKey | MPVXFKXOIJPQKW-ONEGZZNKSA-N |
| Mol Weight | 196.13 g/mol |
| Molecular Formula | C7H7F3O3 |
| Exact Mass | 196.034729 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOqvbEHlNi8 |
|---|---|
| Name | Trans-o-aceto-1,1,1-trifluoroacetylacetone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.034728571 u |
| Formula | C7H7F3O3 |
| InChI | InChI=1S/C7H7F3O3/c1-4(13-5(2)11)3-6(12)7(8,9)10/h3H,1-2H3/b4-3+ |
| InChIKey | MPVXFKXOIJPQKW-ONEGZZNKSA-N |
| Molecular Weight | 196.125 g/mol |
| SMILES | C(=O)(C)O\C(C)=C/C(=O)C(F)(F)F |