| SpectraBase Compound ID | 53XiE8cje6o |
|---|---|
| InChI | InChI=1S/C7H4BrIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
| InChIKey | APGWJGNOWJHSLW-UHFFFAOYSA-N |
| Mol Weight | 326.92 g/mol |
| Molecular Formula | C7H4BrIO2 |
| Exact Mass | 325.843937 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ldyfq2nG6oB |
|---|---|
| Name | 2-Bromo-4-iodobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.843937367 u |
| Formula | C7H4BrIO2 |
| InChI | InChI=1S/C7H4BrIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
| InChIKey | APGWJGNOWJHSLW-UHFFFAOYSA-N |
| Molecular Weight | 326.915 g/mol |
| SMILES | C1(I)=CC(=C(C=C1)C(=O)O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914984 |