| SpectraBase Compound ID | AFU9U8VNTTe |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21) |
| InChIKey | YNSCJHCAYOGRHL-UHFFFAOYSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LGBMXVrxc1p |
|---|---|
| Name | 6-Chloro-2-(3-methylphenyl)quinoline-4-carboxylic 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/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21) |
| InChIKey | YNSCJHCAYOGRHL-UHFFFAOYSA-N |
| Molecular Weight | 297.741 g/mol |
| SMILES | C1(=NC=2C(C(=C1)C(=O)O)=CC(=CC2)Cl)C1=CC(=CC=C1)C |