| SpectraBase Compound ID | HWF5ZrgaeX5 |
|---|---|
| InChI | InChI=1S/C7H11BrO/c8-5-6-2-1-3-7(9)4-6/h6H,1-5H2 |
| InChIKey | ZVMYQUMJSXFDFT-UHFFFAOYSA-N |
| Mol Weight | 191.07 g/mol |
| Molecular Formula | C7H11BrO |
| Exact Mass | 189.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fr4khjhwghn |
|---|---|
| Name | 3-(Bromomethyl)cyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.999327973 u |
| Formula | C7H11BrO |
| InChI | InChI=1S/C7H11BrO/c8-5-6-2-1-3-7(9)4-6/h6H,1-5H2 |
| InChIKey | ZVMYQUMJSXFDFT-UHFFFAOYSA-N |
| Molecular Weight | 191.068 g/mol |
| SMILES | C1C(=O)CC(CC1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955918 |