| SpectraBase Compound ID | 3riI85OTvwd |
|---|---|
| InChI | InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2 |
| InChIKey | HUEULXLHYYYTTP-UHFFFAOYSA-N |
| Mol Weight | 214.05 g/mol |
| Molecular Formula | C9H5Cl2NO |
| Exact Mass | 212.974819 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 | A4WcFpyDFWf |
|---|---|
| Name | 3,4-Dichlorobenzoylacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.974819184 u |
| Formula | C9H5Cl2NO |
| InChI | InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2 |
| InChIKey | HUEULXLHYYYTTP-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1Cl)C(CC#N)=O)Cl |