| SpectraBase Compound ID | vFypWCe3d |
|---|---|
| InChI | InChI=1S/C13H10F3NO/c1-17-10(8-12(18)13(14,15)16)7-6-9-4-2-3-5-11(9)17/h2-8H,1H3/b10-8+ |
| InChIKey | LWNNYODNXGGNOQ-CSKARUKUSA-N |
| Mol Weight | 253.22 g/mol |
| Molecular Formula | C13H10F3NO |
| Exact Mass | 253.071448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4woGEf3m9gF |
|---|---|
| Name | (3E)-1,1,1-Trifluoro-3-(1-methyl-2-quinolinylidene)-2-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.071448434 u |
| Formula | C13H10F3NO |
| InChI | InChI=1S/C13H10F3NO/c1-17-10(8-12(18)13(14,15)16)7-6-9-4-2-3-5-11(9)17/h2-8H,1H3/b10-8+ |
| InChIKey | LWNNYODNXGGNOQ-CSKARUKUSA-N |
| Molecular Weight | 253.224 g/mol |
| SMILES | C(\C=C\1N(C2=C(C=C1)C=CC=C2)C)(C(F)(F)F)=O |