| SpectraBase Compound ID | Ke5Q5AesAB2 |
|---|---|
| InChI | InChI=1S/C7H8BrN/c8-6-4-2-1-3-5-7-9/h1,3,5-6H2 |
| InChIKey | XDSYGPQIMBIKLH-UHFFFAOYSA-N |
| Mol Weight | 186.05 g/mol |
| Molecular Formula | C7H8BrN |
| Exact Mass | 184.984012 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BnsB7OUqaak |
|---|---|
| Name | 5-Heptynenitrile, 7-bromo- |
| CAS Registry Number | 53574-62-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8BrN |
| InChI | InChI=1S/C7H8BrN/c8-6-4-2-1-3-5-7-9/h1,3,5-6H2 |
| InChIKey | XDSYGPQIMBIKLH-UHFFFAOYSA-N |
| Molecular Weight | 186.052 g/mol |
| SMILES | C(#N)CCCC#CCBr |
| SPLASH | splash10-05r0-9300000000-473228cb757a04583161 |
| Source of Spectrum | B-40-279-13 |
| Synonyms | 7-Bromo-5-heptynenitrile 7-Bromanylhept-5-ynenitrile |
| Wiley ID | 1181696 |