| SpectraBase Compound ID | AHBBWXNECRh |
|---|---|
| InChI | InChI=1S/C11H10BrN/c12-9-5-2-1-3-7-11-8-4-6-10-13-11/h1-10H/b2-1+,7-3+,9-5+ |
| InChIKey | FCSBQEMZEPMPKG-KOSPHNRGSA-N |
| Mol Weight | 236.11 g/mol |
| Molecular Formula | C11H10BrN |
| Exact Mass | 234.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Hn7gwrI1Z5 |
|---|---|
| Name | 1-Bromo-6-(2'-pyridyl)hexa-1,3,5-triene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.999662326 u |
| Formula | C11H10BrN |
| InChI | InChI=1S/C11H10BrN/c12-9-5-2-1-3-7-11-8-4-6-10-13-11/h1-10H/b2-1+,7-3+,9-5+ |
| InChIKey | FCSBQEMZEPMPKG-KOSPHNRGSA-N |
| Molecular Weight | 236.112 g/mol |
| SMILES | C1(=NC=CC=C1)\C=C\C=C\C=C\Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898423 |