| SpectraBase Compound ID | 8Ag3jFM0WSW |
|---|---|
| InChI | InChI=1S/C12H5F3N2O2/c13-12(14,15)11(18)19-9-3-1-2-7-4-5-8(6-16)17-10(7)9/h1-5H |
| InChIKey | WERLZRGMDNHGMF-UHFFFAOYSA-N |
| Mol Weight | 266.18 g/mol |
| Molecular Formula | C12H5F3N2O2 |
| Exact Mass | 266.030312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oeVpUrYAHo |
|---|---|
| Name | 2-Carbonitrile-8-hydroxyquinoline, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.030311896 u |
| Formula | C12H5F3N2O2 |
| InChI | InChI=1S/C12H5F3N2O2/c13-12(14,15)11(18)19-9-3-1-2-7-4-5-8(6-16)17-10(7)9/h1-5H |
| InChIKey | WERLZRGMDNHGMF-UHFFFAOYSA-N |
| Molecular Weight | 266.179 g/mol |
| SMILES | C12=NC(=CC=C2C=CC=C1OC(C(F)(F)F)=O)C#N |