| SpectraBase Compound ID | BTGsWTI1Nc7 |
|---|---|
| InChI | InChI=1S/C8H9NS/c1-10-7-5-8-4-2-3-6-9-8/h2-7H,1H3/b7-5+ |
| InChIKey | WEXSVLUTOLJMED-FNORWQNLSA-N |
| Mol Weight | 151.23 g/mol |
| Molecular Formula | C8H9NS |
| Exact Mass | 151.04557 g/mol |
| SpectraBase Spectrum ID | mxoVYSgxLr |
|---|---|
| Name | (E)/(Z)-2-[2-(Methylsulfanyl)-1-ethenyl]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/c1-10-7-5-8-4-2-3-6-9-8/h2-7H,1H3/b7-5+ |
| InChIKey | WEXSVLUTOLJMED-FNORWQNLSA-N |
| Molecular Weight | 151.227 g/mol |
| SMILES | CS\C=C\C1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97202 |