| SpectraBase Compound ID | 7Qc6sftgDId |
|---|---|
| InChI | InChI=1S/C9H8Br2O/c1-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | IFCZDHVDCVEYET-UHFFFAOYSA-N |
| Mol Weight | 291.97 g/mol |
| Molecular Formula | C9H8Br2O |
| Exact Mass | 289.894191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8LK4lTM1qwf |
|---|---|
| Name | 1,1-Dibromethylphenylketon |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.894190877 u |
| Formula | C9H8Br2O |
| InChI | InChI=1S/C9H8Br2O/c1-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | IFCZDHVDCVEYET-UHFFFAOYSA-N |
| SMILES | C(=O)(C=1C=CC=CC1)C(Br)(Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935138 |