| SpectraBase Compound ID | DQtByVeUlqb |
|---|---|
| InChI | InChI=1S/C6H6IN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2 |
| InChIKey | UGLQALFLQMRSEC-UHFFFAOYSA-N |
| Mol Weight | 219.03 g/mol |
| Molecular Formula | C6H6IN |
| Exact Mass | 218.954494 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3I8MLGApyyF |
|---|---|
| Name | 3-(Iodanylmethyl)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.954494197 u |
| Formula | C6H6IN |
| InChI | InChI=1S/C6H6IN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2 |
| InChIKey | UGLQALFLQMRSEC-UHFFFAOYSA-N |
| Molecular Weight | 219.025 g/mol |
| SMILES | C1=NC=CC=C1CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921421 |