| SpectraBase Compound ID | JGi4ZbpYUCF |
|---|---|
| InChI | InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)10-9(14)4-3-7-5-8(13)6-15-11(7)10/h3-6H,2H2,1H3 |
| InChIKey | VBMFMZCRPLYVHE-UHFFFAOYSA-N |
| Mol Weight | 270.12 g/mol |
| Molecular Formula | C12H9Cl2NO2 |
| Exact Mass | 269.001034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Rwq4yrdNCe |
|---|---|
| Name | 3,7-Dichloroquinoline-8-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.001033932 u |
| Formula | C12H9Cl2NO2 |
| InChI | InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)10-9(14)4-3-7-5-8(13)6-15-11(7)10/h3-6H,2H2,1H3 |
| InChIKey | VBMFMZCRPLYVHE-UHFFFAOYSA-N |
| SMILES | C1=CC2=CC(Cl)=CN=C2C(=C1Cl)C(=O)OCC |