| SpectraBase Compound ID | 7nwhdGH8Aa7 |
|---|---|
| InChI | InChI=1S/C7H5Br2I/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,1H3 |
| InChIKey | KPJDQGNISKKJTK-UHFFFAOYSA-N |
| Mol Weight | 375.83 g/mol |
| Molecular Formula | C7H5Br2I |
| Exact Mass | 373.780271 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BwhmMxSvUzR |
|---|---|
| Name | 2,6-Dibromotoluene, 4-iodo |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.780271161 u |
| Formula | C7H5Br2I |
| InChI | InChI=1S/C7H5Br2I/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,1H3 |
| InChIKey | KPJDQGNISKKJTK-UHFFFAOYSA-N |
| Molecular Weight | 375.829 g/mol |
| SMILES | C1(=CC(=CC(=C1C)Br)I)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868094 |