| SpectraBase Compound ID | GjRsL7wnUek |
|---|---|
| InChI | InChI=1S/C11H12Br2O2/c1-2-3-4-10(14)7-5-8(12)11(15)9(13)6-7/h5-6,15H,2-4H2,1H3 |
| InChIKey | SQZFPBSQOUVUJT-UHFFFAOYSA-N |
| Mol Weight | 336.02 g/mol |
| Molecular Formula | C11H12Br2O2 |
| Exact Mass | 333.920406 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1mdZgsmDGAr |
|---|---|
| Name | 3',5'-Dibromo-4'-hydroxyvalerophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.920405624 u |
| Formula | C11H12Br2O2 |
| InChI | InChI=1S/C11H12Br2O2/c1-2-3-4-10(14)7-5-8(12)11(15)9(13)6-7/h5-6,15H,2-4H2,1H3 |
| InChIKey | SQZFPBSQOUVUJT-UHFFFAOYSA-N |
| Molecular Weight | 336.023 g/mol |
| SMILES | OC=1C(=CC(=CC1Br)C(CCCC)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.877103 |