| SpectraBase Compound ID | 6B5dHI9ulSx |
|---|---|
| InChI | InChI=1S/C11H5ClF3NO2/c12-7-3-4-8(18-10(17)11(13,14)15)9-6(7)2-1-5-16-9/h1-5H |
| InChIKey | OTHFDDJCRWRCFC-UHFFFAOYSA-N |
| Mol Weight | 275.61 g/mol |
| Molecular Formula | C11H5ClF3NO2 |
| Exact Mass | 274.996091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dc4mfN3F2bo |
|---|---|
| Name | 5-Chloro-8-hydroxyquinoline, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.996090592 u |
| Formula | C11H5ClF3NO2 |
| InChI | InChI=1S/C11H5ClF3NO2/c12-7-3-4-8(18-10(17)11(13,14)15)9-6(7)2-1-5-16-9/h1-5H |
| InChIKey | OTHFDDJCRWRCFC-UHFFFAOYSA-N |
| Molecular Weight | 275.614 g/mol |
| SMILES | C1(Cl)=C2C(N=CC=C2)=C(C=C1)OC(C(F)(F)F)=O |