| SpectraBase Compound ID | DMZOvX1XAXe |
|---|---|
| InChI | InChI=1S/C12H8F3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6H,7H2 |
| InChIKey | LVPPHTPGIQXDGP-UHFFFAOYSA-N |
| Mol Weight | 239.2 g/mol |
| Molecular Formula | C12H8F3NO |
| Exact Mass | 239.055798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nWwFCYdXIF |
|---|---|
| Name | 1,1,1-Trifluoro-3-(2-quinolinyl)-2-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.055798370 u |
| Formula | C12H8F3NO |
| InChI | InChI=1S/C12H8F3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6H,7H2 |
| InChIKey | LVPPHTPGIQXDGP-UHFFFAOYSA-N |
| Molecular Weight | 239.197 g/mol |
| SMILES | C(C(CC1=NC=2C(C=C1)=CC=CC2)=O)(F)(F)F |