| SpectraBase Compound ID | Jk14yN3ZOM |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3 |
| InChIKey | GKNCPTLOPRDYMH-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IQiJq7YMeKa |
|---|---|
| Name | 2-Bromo-2'-methoxyacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3 |
| InChIKey | GKNCPTLOPRDYMH-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C=1C(=C(C=CC1)OC)C(CBr)=O |
| Spectrum/Structure Validation Score (Raman) | 0.953751 |