| SpectraBase Compound ID | CMk3i89Vs0H |
|---|---|
| InChI | InChI=1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H |
| InChIKey | FCHUOBPHXDXZBK-UHFFFAOYSA-N |
| Mol Weight | 234.1 g/mol |
| Molecular Formula | C11H8BrN |
| Exact Mass | 232.984012 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AvISWgVSaEa |
|---|---|
| Name | 3-(4-Bromophenyl)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.984012262 u |
| Formula | C11H8BrN |
| InChI | InChI=1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H |
| InChIKey | FCHUOBPHXDXZBK-UHFFFAOYSA-N |
| Molecular Weight | 234.096 g/mol |
| SMILES | C=1C(=CC=CN1)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931165 |