| SpectraBase Compound ID | Fgn8S38PcDk |
|---|---|
| InChI | InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3 |
| InChIKey | WRZMHTIRFOFFPY-UHFFFAOYSA-N |
| Mol Weight | 230.19 g/mol |
| Molecular Formula | C11H9F3O2 |
| Exact Mass | 230.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46ppisPFaOL |
|---|---|
| Name | 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.055464017 u |
| Formula | C11H9F3O2 |
| InChI | InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3 |
| InChIKey | WRZMHTIRFOFFPY-UHFFFAOYSA-N |
| Molecular Weight | 230.186 g/mol |
| SMILES | C(C(C(F)(F)F)=O)C(C=1C=CC(C)=CC1)=O |