| SpectraBase Compound ID | 7Uxq4UEtzKq |
|---|---|
| InChI | InChI=1S/C6H4ClN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2 |
| InChIKey | DJMSRFQEEDIQLX-UHFFFAOYSA-N |
| Mol Weight | 217.57 g/mol |
| Molecular Formula | C6H4ClN3O4 |
| Exact Mass | 216.989033 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gnx7w0QMNVe |
|---|---|
| Name | 5-Chloro-2,4-dinitrophenylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.989033317 u |
| Formula | C6H4ClN3O4 |
| InChI | InChI=1S/C6H4ClN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2 |
| InChIKey | DJMSRFQEEDIQLX-UHFFFAOYSA-N |
| Molecular Weight | 217.568 g/mol |
| SMILES | C1(Cl)=C(C=C(C(=C1)N)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946777 |