| SpectraBase Compound ID | 2eZ8L6ua93K |
|---|---|
| InChI | InChI=1S/C12H6F3NO3/c13-12(14,15)11(18)19-9-3-1-2-7-4-5-8(6-17)16-10(7)9/h1-6H |
| InChIKey | GSRQWQQVHRBYJD-UHFFFAOYSA-N |
| Mol Weight | 269.18 g/mol |
| Molecular Formula | C12H6F3NO3 |
| Exact Mass | 269.029978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YfsGdSrsf |
|---|---|
| Name | 2-Formyl-8-hydroxyquinoline, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.029977543 u |
| Formula | C12H6F3NO3 |
| InChI | InChI=1S/C12H6F3NO3/c13-12(14,15)11(18)19-9-3-1-2-7-4-5-8(6-17)16-10(7)9/h1-6H |
| InChIKey | GSRQWQQVHRBYJD-UHFFFAOYSA-N |
| Molecular Weight | 269.179 g/mol |
| SMILES | C12=NC(=CC=C2C=CC=C1OC(C(F)(F)F)=O)C=O |