| SpectraBase Compound ID | 4eAZRvUjb5o |
|---|---|
| InChI | InChI=1S/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | ARJHCXYRCLMLQN-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 | B962IPG0jHN |
|---|---|
| Name | Benzene, 1-iodo-2-methyl-4-nitro- |
| 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/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | ARJHCXYRCLMLQN-UHFFFAOYSA-N |
| Molecular Weight | 263.034 g/mol |
| SMILES | C1(=CC=C(C=C1C)N(=O)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866768 |