| SpectraBase Compound ID | Dpu4uATnOaf |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-2-8(11)6-3-4-9(12)7(10)5-6/h3-5,12H,2H2,1H3 |
| InChIKey | LFFDDMWXMSAFSM-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 | IXDqHaK64LU |
|---|---|
| Name | 3'-Bromo-4'-hydroxypropiophenone |
| 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/c1-2-8(11)6-3-4-9(12)7(10)5-6/h3-5,12H,2H2,1H3 |
| InChIKey | LFFDDMWXMSAFSM-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | OC=1C(=CC(=CC1)C(CC)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.821981 |