| SpectraBase Compound ID | BHu5ewChpxP |
|---|---|
| InChI | InChI=1S/C6H3ClINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H |
| InChIKey | YHIUICUDBKZVBE-UHFFFAOYSA-N |
| Mol Weight | 283.45 g/mol |
| Molecular Formula | C6H3ClINO2 |
| Exact Mass | 282.889701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Emiov5fnNja |
|---|---|
| Name | 1-Chloro-4-iodo-2-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.889701039 u |
| Formula | C6H3ClINO2 |
| InChI | InChI=1S/C6H3ClINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H |
| InChIKey | YHIUICUDBKZVBE-UHFFFAOYSA-N |
| Molecular Weight | 283.452 g/mol |
| SMILES | C1(I)=CC(=C(C=C1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967402 |