| SpectraBase Compound ID | 8MkkcH6z7Bd |
|---|---|
| InChI | InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H |
| InChIKey | GWOAJJWBCSUGHH-UHFFFAOYSA-N |
| Mol Weight | 359.0 g/mol |
| Molecular Formula | C12H8BrI |
| Exact Mass | 357.885408 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Df7SfoTrYWS |
|---|---|
| Name | 4-Bromo-4'-iodobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.885408258 u |
| Formula | C12H8BrI |
| InChI | InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H |
| InChIKey | GWOAJJWBCSUGHH-UHFFFAOYSA-N |
| Molecular Weight | 359.004 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)C1=CC=C(C=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843633 |