| SpectraBase Compound ID | 7v1hVxAudkT |
|---|---|
| InChI | InChI=1S/C7H7Cl2N/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3 |
| InChIKey | IGSFOXNHUBLZHU-UHFFFAOYSA-N |
| Mol Weight | 176.05 g/mol |
| Molecular Formula | C7H7Cl2N |
| Exact Mass | 174.995555 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jm8Szm3xJzj |
|---|---|
| Name | 5-Amino-2,4-dichlorotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.995554629 u |
| Formula | C7H7Cl2N |
| InChI | InChI=1S/C7H7Cl2N/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3 |
| InChIKey | IGSFOXNHUBLZHU-UHFFFAOYSA-N |
| SMILES | C1(N)=C(Cl)C=C(C(C)=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886322 |