| SpectraBase Compound ID | 16DQiI2eHsV |
|---|---|
| InChI | InChI=1S/C8H9NS/c1-2-7-10-8-5-3-4-6-9-8/h2-6H,1,7H2 |
| InChIKey | GQJRMAHIZBHNJX-UHFFFAOYSA-N |
| Mol Weight | 151.23 g/mol |
| Molecular Formula | C8H9NS |
| Exact Mass | 151.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 813d01YWYjX |
|---|---|
| Name | 2-(Allylthio)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.045570468 u |
| Formula | C8H9NS |
| InChI | InChI=1S/C8H9NS/c1-2-7-10-8-5-3-4-6-9-8/h2-6H,1,7H2 |
| InChIKey | GQJRMAHIZBHNJX-UHFFFAOYSA-N |
| Molecular Weight | 151.227 g/mol |
| SMILES | C1(=NC=CC=C1)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899666 |