| SpectraBase Compound ID | FuC35Nl4b6k |
|---|---|
| InChI | InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
| InChIKey | PLAKKSAFIZVHJP-UHFFFAOYSA-N |
| Mol Weight | 296.93 g/mol |
| Molecular Formula | C7H6BrI |
| Exact Mass | 295.869758 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FrQsMxQ2BK0 |
|---|---|
| Name | Benzene, 2-bromo-1-iodo-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.869758193 u |
| Formula | C7H6BrI |
| InChI | InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
| InChIKey | PLAKKSAFIZVHJP-UHFFFAOYSA-N |
| Molecular Weight | 296.933 g/mol |
| SMILES | C1=C(C(=CC=C1C)I)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837228 |