| SpectraBase Compound ID | GDsjl1coduE |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/c1-10-2-7-15-13(8-10)14(17(20)21)9-16(19-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21) |
| InChIKey | UKVYTICTOCBCIP-UHFFFAOYSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEwY3TCnTmA |
|---|---|
| Name | 2-(4-Chlorophenyl)-6-methyl-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/c1-10-2-7-15-13(8-10)14(17(20)21)9-16(19-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21) |
| InChIKey | UKVYTICTOCBCIP-UHFFFAOYSA-N |
| SMILES | OC(C1=C2C(C=CC(=C2)C)=NC(=C1)C=1C=CC(=CC1)Cl)=O |