| SpectraBase Compound ID | CAlgczrhvjV |
|---|---|
| InChI | InChI=1S/C6H4Cl2N2O2/c7-4-1-3(9)2-5(8)6(4)10(11)12/h1-2H,9H2 |
| InChIKey | FKDUHJWERVIMAL-UHFFFAOYSA-N |
| Mol Weight | 207.02 g/mol |
| Molecular Formula | C6H4Cl2N2O2 |
| Exact Mass | 205.964983 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ke7CyOpSMih |
|---|---|
| Name | 3,5-Dichloro-4-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.964982775 u |
| Formula | C6H4Cl2N2O2 |
| InChI | InChI=1S/C6H4Cl2N2O2/c7-4-1-3(9)2-5(8)6(4)10(11)12/h1-2H,9H2 |
| InChIKey | FKDUHJWERVIMAL-UHFFFAOYSA-N |
| Molecular Weight | 207.016 g/mol |
| SMILES | C1(=CC(=C(C(=C1)Cl)N(=O)=O)Cl)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937094 |