| SpectraBase Compound ID | EQUzeAV2UbL |
|---|---|
| InChI | InChI=1S/C6H3ClINO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
| InChIKey | OTLJSDATRAVVAV-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 | 2GgTsIlxnTO |
|---|---|
| Name | 4-Chloro-2-iodo-1-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/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
| InChIKey | OTLJSDATRAVVAV-UHFFFAOYSA-N |
| Molecular Weight | 283.452 g/mol |
| SMILES | C1(N(=O)=O)=C(I)C=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905844 |