| SpectraBase Compound ID | DBDEciaAgn9 |
|---|---|
| InChI | InChI=1S/C9H7BrO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3 |
| InChIKey | RDZGCSCMCXKNLQ-UHFFFAOYSA-N |
| Mol Weight | 227.06 g/mol |
| Molecular Formula | C9H7BrO2 |
| Exact Mass | 225.962942 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | In7IETsSXY8 |
|---|---|
| Name | 1-(4-Bromophenyl)propane-1,2-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7BrO2 |
| InChI | InChI=1S/C9H7BrO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3 |
| InChIKey | RDZGCSCMCXKNLQ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo201029p |
| Molecular Weight | 227.057 g/mol |
| SMILES | c1cc(C(C(=O)C)=O)ccc1Br |
| SPLASH | splash10-0560-2900000000-fc19f61949872516ca80 |
| Source of Spectrum | J-76-6960-2d |
| Wiley ID | 1746768 |