| SpectraBase Compound ID | 4wbuWGB2hB5 |
|---|---|
| InChI | InChI=1S/C12H8N2O2/c1-8(15)16-11-4-2-3-9-5-6-10(7-13)14-12(9)11/h2-6H,1H3 |
| InChIKey | QNZKJCRVTIEPIG-UHFFFAOYSA-N |
| Mol Weight | 212.21 g/mol |
| Molecular Formula | C12H8N2O2 |
| Exact Mass | 212.058578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6slHZsfruEQ |
|---|---|
| Name | 2-Carbonitrile-8-hydroxyquinoline, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.058577504 u |
| Formula | C12H8N2O2 |
| InChI | InChI=1S/C12H8N2O2/c1-8(15)16-11-4-2-3-9-5-6-10(7-13)14-12(9)11/h2-6H,1H3 |
| InChIKey | QNZKJCRVTIEPIG-UHFFFAOYSA-N |
| Molecular Weight | 212.208 g/mol |
| SMILES | C12=NC(=CC=C2C=CC=C1OC(C)=O)C#N |