![2-[(Methylsulfanyl)methyl]pyridine](/api/spectrum/Sa70bop1Tp/structure.png?h=300&w=458 "2-[(Methylsulfanyl)methyl]pyridine")
| SpectraBase Compound ID | 8EKDnvGuyqT |
|---|---|
| InChI | InChI=1S/C7H9NS/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3 |
| InChIKey | KWXDPVBKJYKQIM-UHFFFAOYSA-N |
| Mol Weight | 139.22 g/mol |
| Molecular Formula | C7H9NS |
| Exact Mass | 139.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Sa70bop1Tp |
|---|---|
| Name | 2-[(Methylsulfanyl)methyl]pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.045570468 u |
| Formula | C7H9NS |
| InChI | InChI=1S/C7H9NS/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3 |
| InChIKey | KWXDPVBKJYKQIM-UHFFFAOYSA-N |
| Molecular Weight | 139.216 g/mol |
| SMILES | C1(=NC=CC=C1)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974717 |