| SpectraBase Compound ID | 7NiIBQbXqWo |
|---|---|
| InChI | InChI=1S/C6H6BrNO2/c1-4(9)5(3-8)6(10)2-7/h5H,2H2,1H3 |
| InChIKey | BRWJWYWYCYQSHN-UHFFFAOYSA-N |
| Mol Weight | 204.02 g/mol |
| Molecular Formula | C6H6BrNO2 |
| Exact Mass | 202.958191 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1kOFHmWYo4s |
|---|---|
| Name | 1-Bromo-3-cyanopenta-2,4-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6BrNO2 |
| InChI | InChI=1S/C6H6BrNO2/c1-4(9)5(3-8)6(10)2-7/h5H,2H2,1H3 |
| InChIKey | BRWJWYWYCYQSHN-UHFFFAOYSA-N |
| Molecular Weight | 204.023 g/mol |
| SMILES | C(C(C(C(C)=O)C#N)=O)Br |
| SPLASH | splash10-0006-9200000000-a842f2df826f34aabcd8 |
| Source of Spectrum | C5-2004-403-5 |
| Synonyms | 2-Acetyl-4-bromo-3-oxobutanenitrile |
| Wiley ID | 1616644 |