| SpectraBase Compound ID | GSfvmUR9dmL |
|---|---|
| InChI | InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11) |
| InChIKey | XWOGTRRVKVPJSP-UHFFFAOYSA-N |
| Mol Weight | 293.02 g/mol |
| Molecular Formula | C7H4INO4 |
| Exact Mass | 292.918503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A5qFgeird5B |
|---|---|
| Name | 2-Iodo-3-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.918502609 u |
| Formula | C7H4INO4 |
| InChI | InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11) |
| InChIKey | XWOGTRRVKVPJSP-UHFFFAOYSA-N |
| Molecular Weight | 293.016 g/mol |
| SMILES | C1(I)=C(C=CC=C1C(=O)O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98794 |