![4-Bromanylbicyclo[4.1.1]octa-2,4-diene](/api/spectrum/Bd0lYNmEijg/structure.png?h=300&w=458 "4-Bromanylbicyclo[4.1.1]octa-2,4-diene")
| SpectraBase Compound ID | 4xDBfLnYEXP |
|---|---|
| InChI | InChI=1S/C8H9Br/c9-8-2-1-6-3-7(4-6)5-8/h1-2,5-7H,3-4H2 |
| InChIKey | UNQRUDZEUXAYPE-UHFFFAOYSA-N |
| Mol Weight | 185.06 g/mol |
| Molecular Formula | C8H9Br |
| Exact Mass | 183.988763 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 | Bd0lYNmEijg |
|---|---|
| Name | 4-Bromanylbicyclo[4.1.1]octa-2,4-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.988763290 u |
| Formula | C8H9Br |
| InChI | InChI=1S/C8H9Br/c9-8-2-1-6-3-7(4-6)5-8/h1-2,5-7H,3-4H2 |
| InChIKey | UNQRUDZEUXAYPE-UHFFFAOYSA-N |
| Molecular Weight | 185.064 g/mol |
| SMILES | C1(=CC2CC(C=C1)C2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899202 |