| SpectraBase Compound ID | CUKYpl0ezF8 |
|---|---|
| InChI | InChI=1S/C7H6INO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
| InChIKey | DKYCDXAZCHMPSJ-UHFFFAOYSA-N |
| Mol Weight | 263.03 g/mol |
| Molecular Formula | C7H6INO2 |
| Exact Mass | 262.944323 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JwQQik2Ljdj |
|---|---|
| Name | 4-Iodo-3-nitrotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.944323435 u |
| Formula | C7H6INO2 |
| InChI | InChI=1S/C7H6INO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
| InChIKey | DKYCDXAZCHMPSJ-UHFFFAOYSA-N |
| Molecular Weight | 263.034 g/mol |
| SMILES | C1=CC(=CC(=C1I)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969575 |