| SpectraBase Compound ID | 7MNaDohlJMm |
|---|---|
| InChI | InChI=1S/C7H4Cl2N2/c8-6-2-1-5(11-4-10)3-7(6)9/h1-3,11H |
| InChIKey | VGQKZVPHFLOGTN-UHFFFAOYSA-N |
| Mol Weight | 187.03 g/mol |
| Molecular Formula | C7H4Cl2N2 |
| Exact Mass | 185.975154 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EC7Fz3XHsn2 |
|---|---|
| Name | 3,4-Dichloroanilinocarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.975153537 u |
| Formula | C7H4Cl2N2 |
| InChI | InChI=1S/C7H4Cl2N2/c8-6-2-1-5(11-4-10)3-7(6)9/h1-3,11H |
| InChIKey | VGQKZVPHFLOGTN-UHFFFAOYSA-N |
| SMILES | C(#N)NC=1C=CC(=C(Cl)C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913249 |