| SpectraBase Compound ID | 2tQthaAlluz |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3 |
| InChIKey | GLKBPFOSTPLEKE-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E65ew1N1UD |
|---|---|
| Name | 5-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/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3 |
| InChIKey | GLKBPFOSTPLEKE-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C=1(C(=O)C)C(=CC=C(C1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813994 |