| SpectraBase Compound ID | 2nuR2aUmrpk |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/c1-10-2-4-11(5-3-10)16-9-14(17(20)21)13-8-12(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21) |
| InChIKey | JYXFXXNOTATROZ-UHFFFAOYSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1IHA7oAkhGa |
|---|---|
| Name | 6-Chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.055656328 u |
| Formula | C17H12ClNO2 |
| InChI | InChI=1S/C17H12ClNO2/c1-10-2-4-11(5-3-10)16-9-14(17(20)21)13-8-12(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21) |
| InChIKey | JYXFXXNOTATROZ-UHFFFAOYSA-N |
| SMILES | OC(C=1C=2C(=CC=C(C2)Cl)N=C(C1)C=1C=CC(=CC1)C)=O |