![3-Bromobicyclo[1.1.1]pentane-1-carbonitrile](/api/spectrum/Cd9ysJQUkVo/structure.png?h=300&w=458 "3-Bromobicyclo[1.1.1]pentane-1-carbonitrile")
| SpectraBase Compound ID | 9PS7xLqXakV |
|---|---|
| InChI | InChI=1S/C6H6BrN/c7-6-1-5(2-6,3-6)4-8/h1-3H2 |
| InChIKey | LJILZYCLVKHVJE-UHFFFAOYSA-N |
| Mol Weight | 172.02 g/mol |
| Molecular Formula | C6H6BrN |
| Exact Mass | 170.968362 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cd9ysJQUkVo |
|---|---|
| Name | 3-Bromobicyclo[1.1.1]pentane-1-carbonitrile |
| Alternate Name(s) | 3-Bromo-1-bicyclo[1.1.1]pentanecarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6BrN |
| InChI | InChI=1S/C6H6BrN/c7-6-1-5(2-6,3-6)4-8/h1-3H2 |
| InChIKey | LJILZYCLVKHVJE-UHFFFAOYSA-N |
| Molecular Weight | 172.025 g/mol |
| SMILES | C12(C#N)CC(C2)(Br)C1 |
| SPLASH | splash10-015c-9000000000-f0e9e6d2fd4c033b903b |
| Source of Spectrum | J-59-2994-12 |
| Wiley ID | 1167721 |