| SpectraBase Compound ID | D7rx4uKkbtT |
|---|---|
| InChI | InChI=1S/C9H9BrO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3 |
| InChIKey | TZVOWUZAOVUUBP-UHFFFAOYSA-N |
| Mol Weight | 213.07 g/mol |
| Molecular Formula | C9H9BrO |
| Exact Mass | 211.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H3knkAjRyat |
|---|---|
| Name | 3-Bromomethylacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.983677909 u |
| Formula | C9H9BrO |
| InChI | InChI=1S/C9H9BrO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3 |
| InChIKey | TZVOWUZAOVUUBP-UHFFFAOYSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | c1c(cc(cc1)C(=O)C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902776 |