| SpectraBase Compound ID | 3doxD7Fns5F |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c1-9(14)2-7-12(15)8-10-3-5-11(13)6-4-10/h3-6H,2,7-8H2,1H3 |
| InChIKey | QVVXZBUQPOLOFN-UHFFFAOYSA-N |
| Mol Weight | 269.14 g/mol |
| Molecular Formula | C12H13BrO2 |
| Exact Mass | 268.009893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IRdiiWaKxuh |
|---|---|
| Name | 1-(4-Bromophenyl)hexane-2,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13BrO2 |
| InChI | InChI=1S/C12H13BrO2/c1-9(14)2-7-12(15)8-10-3-5-11(13)6-4-10/h3-6H,2,7-8H2,1H3 |
| InChIKey | QVVXZBUQPOLOFN-UHFFFAOYSA-N |
| Molecular Weight | 269.138 g/mol |
| SMILES | C(C(CCC(C)=O)=O)c1ccc(cc1)Br |
| SPLASH | splash10-0002-9010000000-72a73fc37fc772d82448 |
| Source of Spectrum | F-69-912-3 |
| Wiley ID | 1594656 |