| SpectraBase Compound ID | D2S5h1pWmkd |
|---|---|
| InChI | InChI=1S/C12H7Cl2NO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-7H |
| InChIKey | MYNUUPOPJUCZCU-UHFFFAOYSA-N |
| Mol Weight | 252.1 g/mol |
| Molecular Formula | C12H7Cl2NO |
| Exact Mass | 250.990469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtmcZFiZ5eX |
|---|---|
| Name | 3,4-Dichlorophenyl-4-pyridyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.990469248 u |
| Formula | C12H7Cl2NO |
| InChI | InChI=1S/C12H7Cl2NO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-7H |
| InChIKey | MYNUUPOPJUCZCU-UHFFFAOYSA-N |
| Molecular Weight | 252.100 g/mol |
| SMILES | C1=C(C(C2=CC=NC=C2)=O)C=C(C(=C1)Cl)Cl |