| SpectraBase Compound ID | 3Is8tXHySFY |
|---|---|
| InChI | InChI=1S/C9H12Br2O/c1-3-4-5-6-7(2)8(12)9(10)11/h7,9H,3,6H2,1-2H3 |
| InChIKey | AJKBFHKASIBRIU-UHFFFAOYSA-N |
| Mol Weight | 296.0 g/mol |
| Molecular Formula | C9H12Br2O |
| Exact Mass | 293.925491 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | o3ggof1n7Z |
|---|---|
| Name | 1,1-Dibromo-3-methyl-5-octyn-2-one |
| CAS Registry Number | 112741-12-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12Br2O |
| InChI | InChI=1S/C9H12Br2O/c1-3-4-5-6-7(2)8(12)9(10)11/h7,9H,3,6H2,1-2H3 |
| InChIKey | AJKBFHKASIBRIU-UHFFFAOYSA-N |
| Molecular Weight | 296.002 g/mol |
| SMILES | C(C(Br)Br)(=O)C(CC#CCC)C |
| SPLASH | splash10-00di-0900000000-a9219ae52593bc94731f |
| Source of Spectrum | J-53-1229-0 |
| Wiley ID | 1296662 |