| SpectraBase Compound ID | 8T2GrPFPlUG |
|---|---|
| InChI | InChI=1S/C7H6BrN/c1-6(8)7-4-2-3-5-9-7/h2-5H,1H2 |
| InChIKey | CXMDMTPJNHAVGI-UHFFFAOYSA-N |
| Mol Weight | 184.04 g/mol |
| Molecular Formula | C7H6BrN |
| Exact Mass | 182.968362 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4LUtoe3KvaK |
|---|---|
| Name | 2-(1-Bromanylethenyl)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.968362197 u |
| Formula | C7H6BrN |
| InChI | InChI=1S/C7H6BrN/c1-6(8)7-4-2-3-5-9-7/h2-5H,1H2 |
| InChIKey | CXMDMTPJNHAVGI-UHFFFAOYSA-N |
| Molecular Weight | 184.036 g/mol |
| SMILES | C(C1=NC=CC=C1)(=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93162 |