![Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-bromo-](/api/spectrum/7haVHiGU8FA/structure.png?h=300&w=458 "Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-bromo-")
| SpectraBase Compound ID | Ae9uCGEq3Qy |
|---|---|
| InChI | InChI=1S/C8H5BrO/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7H |
| InChIKey | TZIYNDXBDCYESS-UHFFFAOYSA-N |
| Mol Weight | 197.03 g/mol |
| Molecular Formula | C8H5BrO |
| Exact Mass | 195.952378 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7haVHiGU8FA |
|---|---|
| Name | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-bromo- |
| 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/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7H |
| InChIKey | TZIYNDXBDCYESS-UHFFFAOYSA-N |
| Molecular Weight | 197.031 g/mol |
| SMILES | C1(Br)C(=O)C=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942199 |