| SpectraBase Compound ID | Irn2BStsQoJ |
|---|---|
| InChI | InChI=1S/C21H16N4O/c1-14-7-6-11-20(23-14)25-21(26)16-13-19(18-10-4-5-12-22-18)24-17-9-3-2-8-15(16)17/h2-13H,1H3,(H,23,25,26) |
| InChIKey | AIIYXIGIHQOWFB-UHFFFAOYSA-N |
| Mol Weight | 340.39 g/mol |
| Molecular Formula | C21H16N4O |
| Exact Mass | 340.132411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59PrHkgxZhN |
|---|---|
| Name | 4-Quinolinecarboxamide, N-(6-methyl-2-pyridinyl)-2-(2-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.132411150 u |
| Formula | C21H16N4O |
| InChI | InChI=1S/C21H16N4O/c1-14-7-6-11-20(23-14)25-21(26)16-13-19(18-10-4-5-12-22-18)24-17-9-3-2-8-15(16)17/h2-13H,1H3,(H,23,25,26) |
| InChIKey | AIIYXIGIHQOWFB-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC(C2=NC=CC=C2)=NC=2C1=CC=CC2)=O)C1=NC(C)=CC=C1 |