| SpectraBase Compound ID | 369ESiwkzzy |
|---|---|
| InChI | InChI=1S/C14H5F7N2O2/c15-12(16,13(17,18)14(19,20)21)11(24)25-9-3-1-2-7-4-5-8(6-22)23-10(7)9/h1-5H |
| InChIKey | ZQYGYDJMRVAPJF-UHFFFAOYSA-N |
| Mol Weight | 366.19 g/mol |
| Molecular Formula | C14H5F7N2O2 |
| Exact Mass | 366.023925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0OGMIvhblG |
|---|---|
| Name | 2-Carbonitrile-8-hydroxyquinoline, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.023924548 u |
| Formula | C14H5F7N2O2 |
| InChI | InChI=1S/C14H5F7N2O2/c15-12(16,13(17,18)14(19,20)21)11(24)25-9-3-1-2-7-4-5-8(6-22)23-10(7)9/h1-5H |
| InChIKey | ZQYGYDJMRVAPJF-UHFFFAOYSA-N |
| Molecular Weight | 366.195 g/mol |
| SMILES | C12=NC(=CC=C2C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C#N |