| SpectraBase Compound ID | CgyT9FCRMQ |
|---|---|
| InChI | InChI=1S/C9H5BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-5H |
| InChIKey | HJFISYRTQFOWNC-UHFFFAOYSA-N |
| Mol Weight | 209.04 g/mol |
| Molecular Formula | C9H5BrO |
| Exact Mass | 207.952378 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1e9polVoXi4 |
|---|---|
| Name | 2-Bromoinden-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.952377780 u |
| Formula | C9H5BrO |
| InChI | InChI=1S/C9H5BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-5H |
| InChIKey | HJFISYRTQFOWNC-UHFFFAOYSA-N |
| Molecular Weight | 209.042 g/mol |
| SMILES | C1(C(=CC=2C=CC=CC12)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947315 |