| SpectraBase Compound ID | AmF8yiFcIW6 |
|---|---|
| InChI | InChI=1S/C9H10BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h3,5H,1-2,4,6H2/b5-3+ |
| InChIKey | QQODOIOEBPRTGJ-HWKANZROSA-N |
| Mol Weight | 212.09 g/mol |
| Molecular Formula | C9H10BrN |
| Exact Mass | 210.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GkQd2x3rf6z |
|---|---|
| Name | (E)-3-(2-Bromanylcyclohexen-1-yl)prop-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.999662326 u |
| Formula | C9H10BrN |
| InChI | InChI=1S/C9H10BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h3,5H,1-2,4,6H2/b5-3+ |
| InChIKey | QQODOIOEBPRTGJ-HWKANZROSA-N |
| Molecular Weight | 212.090 g/mol |
| SMILES | C(#N)\C=C\C1=C(Br)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857021 |