| SpectraBase Compound ID | 4PHVbTtXYA0 |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6H2,1-2H3 |
| InChIKey | GSCCVWPVPFIRJP-UHFFFAOYSA-N |
| Mol Weight | 227.1 g/mol |
| Molecular Formula | C10H11BrO |
| Exact Mass | 225.999328 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JSLcV8cOHVe |
|---|---|
| Name | 2-Bromo-2',4'-dimethylacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.999327973 u |
| Formula | C10H11BrO |
| InChI | InChI=1S/C10H11BrO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6H2,1-2H3 |
| InChIKey | GSCCVWPVPFIRJP-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C1=C(C(=CC=C1C)C(CBr)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.898216 |