| SpectraBase Compound ID | GwTUGxk8WTC |
|---|---|
| InChI | InChI=1S/C13H5F5N2O2/c14-12(15,13(16,17)18)11(21)22-9-3-1-2-7-4-5-8(6-19)20-10(7)9/h1-5H |
| InChIKey | GDQZQCGGMCCPIG-UHFFFAOYSA-N |
| Mol Weight | 316.19 g/mol |
| Molecular Formula | C13H5F5N2O2 |
| Exact Mass | 316.027118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fplnng5g7hG |
|---|---|
| Name | 2-Carbonitrile-8-hydroxyquinoline, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.027118222 u |
| Formula | C13H5F5N2O2 |
| InChI | InChI=1S/C13H5F5N2O2/c14-12(15,13(16,17)18)11(21)22-9-3-1-2-7-4-5-8(6-19)20-10(7)9/h1-5H |
| InChIKey | GDQZQCGGMCCPIG-UHFFFAOYSA-N |
| Molecular Weight | 316.187 g/mol |
| SMILES | C12=NC(=CC=C2C=CC=C1OC(C(C(F)(F)F)(F)F)=O)C#N |