| SpectraBase Compound ID | LCCkAlglYby |
|---|---|
| InChI | InChI=1S/C12H12BrN/c1-2-5-10(9-14)8-11-6-3-4-7-12(11)13/h2-4,6-7,10H,1,5,8H2 |
| InChIKey | QGEPETVPIHAUFD-UHFFFAOYSA-N |
| Mol Weight | 250.14 g/mol |
| Molecular Formula | C12H12BrN |
| Exact Mass | 249.015312 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4jxWu5rq7X5 |
|---|---|
| Name | 2-(o-Bromobenzyl)-4-pentenenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12BrN |
| InChI | InChI=1S/C12H12BrN/c1-2-5-10(9-14)8-11-6-3-4-7-12(11)13/h2-4,6-7,10H,1,5,8H2 |
| InChIKey | QGEPETVPIHAUFD-UHFFFAOYSA-N |
| Molecular Weight | 250.139 g/mol |
| SMILES | C(#N)C(Cc1c(Br)cccc1)CC=C |
| SPLASH | splash10-00xr-1910000000-d6d516b4eb30fdd92a5a |
| Source of Spectrum | QA-47-335-5 |
| Synonyms | 2-(2-bromobenzyl)-4-pentenenitrile |
| Wiley ID | 863332 |