![5-Bromanylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one](/api/spectrum/LkLS79qfDKj/structure.png?h=300&w=458 "5-Bromanylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one")
| SpectraBase Compound ID | DJhHsBgxB77 |
|---|---|
| InChI | InChI=1S/C8H5BrO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2 |
| InChIKey | WTLPMCZXBLMOJG-UHFFFAOYSA-N |
| Mol Weight | 197.03 g/mol |
| Molecular Formula | C8H5BrO |
| Exact Mass | 195.952378 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 | LkLS79qfDKj |
|---|---|
| Name | 5-Bromanylbicyclo[4.2.0]octa-1(6),2,4-trien-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.952377780 u |
| Formula | C8H5BrO |
| InChI | InChI=1S/C8H5BrO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2 |
| InChIKey | WTLPMCZXBLMOJG-UHFFFAOYSA-N |
| Molecular Weight | 197.031 g/mol |
| SMILES | C1(C2=C(Br)C=CC=C2C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932498 |