![2-[3,4-Dichlorophenyl]-4-carboxy-7-methylquinoline](/api/spectrum/BjR1CVBkDjX/structure.png?h=300&w=458 "2-[3,4-Dichlorophenyl]-4-carboxy-7-methylquinoline")
| SpectraBase Compound ID | Dcxb2PEEM7Q |
|---|---|
| InChI | InChI=1S/C17H11Cl2NO2/c1-9-2-4-11-12(17(21)22)8-15(20-16(11)6-9)10-3-5-13(18)14(19)7-10/h2-8H,1H3,(H,21,22) |
| InChIKey | NFUSBYRHWVDFFW-UHFFFAOYSA-N |
| Mol Weight | 332.19 g/mol |
| Molecular Formula | C17H11Cl2NO2 |
| Exact Mass | 331.016684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjR1CVBkDjX |
|---|---|
| Name | 2-[3,4-Dichlorophenyl]-4-carboxy-7-methylquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.016683996 u |
| Formula | C17H11Cl2NO2 |
| InChI | InChI=1S/C17H11Cl2NO2/c1-9-2-4-11-12(17(21)22)8-15(20-16(11)6-9)10-3-5-13(18)14(19)7-10/h2-8H,1H3,(H,21,22) |
| InChIKey | NFUSBYRHWVDFFW-UHFFFAOYSA-N |
| Molecular Weight | 332.186 g/mol |
| SMILES | C(O)(C1=CC(=NC2=CC(C)=CC=C12)C1=CC(=C(C=C1)Cl)Cl)=O |