| SpectraBase Compound ID | 6kByWM6xQvR |
|---|---|
| InChI | InChI=1S/C13H8F5NO2/c1-7-5-6-8-3-2-4-9(10(8)19-7)21-11(20)12(14,15)13(16,17)18/h2-6H,1H3 |
| InChIKey | KPDUUPJYMBAGJZ-UHFFFAOYSA-N |
| Mol Weight | 305.2 g/mol |
| Molecular Formula | C13H8F5NO2 |
| Exact Mass | 305.047519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FjI04916PJ |
|---|---|
| Name | 2-Methyl-8-hydroxyquinoline, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.047519315 u |
| Formula | C13H8F5NO2 |
| InChI | InChI=1S/C13H8F5NO2/c1-7-5-6-8-3-2-4-9(10(8)19-7)21-11(20)12(14,15)13(16,17)18/h2-6H,1H3 |
| InChIKey | KPDUUPJYMBAGJZ-UHFFFAOYSA-N |
| Molecular Weight | 305.204 g/mol |
| SMILES | C12=NC(=CC=C2C=CC=C1OC(C(C(F)(F)F)(F)F)=O)C |