| SpectraBase Compound ID | cNMDESVkVC |
|---|---|
| InChI | InChI=1S/C16H10Cl2N2O/c17-11-5-6-13(14(18)8-11)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,(H,20,21) |
| InChIKey | XQCFPNQTYSHOGX-UHFFFAOYSA-N |
| Mol Weight | 317.18 g/mol |
| Molecular Formula | C16H10Cl2N2O |
| Exact Mass | 316.017018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQjgfq6IIAD |
|---|---|
| Name | Benzamide, 2,4-dichloro-N-(3-quinolin-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.017018349 u |
| Formula | C16H10Cl2N2O |
| InChI | InChI=1S/C16H10Cl2N2O/c17-11-5-6-13(14(18)8-11)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,(H,20,21) |
| InChIKey | XQCFPNQTYSHOGX-UHFFFAOYSA-N |
| Molecular Weight | 317.175 g/mol |
| SMILES | C1(C(NC2=CC3=C(C=CC=C3)N=C2)=O)=C(C=C(C=C1)Cl)Cl |