| SpectraBase Compound ID | KSh3gKgllBQ |
|---|---|
| InChI | InChI=1S/C13H12ClNO2/c1-3-17-13(16)11-10(14)5-4-9-6-8(2)7-15-12(9)11/h4-7H,3H2,1-2H3 |
| InChIKey | CCLHMJNBSPIFMT-UHFFFAOYSA-N |
| Mol Weight | 249.7 g/mol |
| Molecular Formula | C13H12ClNO2 |
| Exact Mass | 249.055656 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 | 5fPQPf0OaB5 |
|---|---|
| Name | 7-Chloro-3-methyl-quinoline-8-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.055656328 u |
| Formula | C13H12ClNO2 |
| InChI | InChI=1S/C13H12ClNO2/c1-3-17-13(16)11-10(14)5-4-9-6-8(2)7-15-12(9)11/h4-7H,3H2,1-2H3 |
| InChIKey | CCLHMJNBSPIFMT-UHFFFAOYSA-N |
| Molecular Weight | 249.697 g/mol |
| SMILES | C1(=C(C2=NC=C(C=C2C=C1)C)C(=O)OCC)Cl |