| SpectraBase Compound ID | 5JvOFGhq3J0 |
|---|---|
| InChI | InChI=1S/C7H5BrO2/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,1H3 |
| InChIKey | GEHDPZDCQQCCOQ-UHFFFAOYSA-N |
| Mol Weight | 201.02 g/mol |
| Molecular Formula | C7H5BrO2 |
| Exact Mass | 199.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkO8oYzcNil |
|---|---|
| Name | 2-Bromo-3-methylcyclohexa-2,5-diene-1,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.947292399 u |
| Formula | C7H5BrO2 |
| InChI | InChI=1S/C7H5BrO2/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,1H3 |
| InChIKey | GEHDPZDCQQCCOQ-UHFFFAOYSA-N |
| Molecular Weight | 201.019 g/mol |
| SMILES | C1(C(=C(C(C=C1)=O)C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965237 |