| SpectraBase Compound ID | 547Z8bwqyPs |
|---|---|
| InChI | InChI=1S/C7H4Cl2N2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2 |
| InChIKey | RYMBKSPMCKFIGN-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 | 6AxupBmf6Y5 |
|---|---|
| Name | 6-Amino-2,3-dichloro-benzonitrile |
| 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/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2 |
| InChIKey | RYMBKSPMCKFIGN-UHFFFAOYSA-N |
| SMILES | C1(=C(C(Cl)=CC=C1N)Cl)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890313 |