| SpectraBase Compound ID | JmKz4jIayUO |
|---|---|
| InChI | InChI=1S/C8H10N2S/c1-10-5-7(4-9)3-8(6-10)11-2/h5-6H,3H2,1-2H3 |
| InChIKey | PXZNGSZTRXMHAU-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C8H10N2S |
| Exact Mass | 166.05647 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AYAXRBeVA3F |
|---|---|
| Name | 1-Methyl-5-(methylthio)-4H-pyridine-3-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.056469504 u |
| Formula | C8H10N2S |
| InChI | InChI=1S/C8H10N2S/c1-10-5-7(4-9)3-8(6-10)11-2/h5-6H,3H2,1-2H3 |
| InChIKey | PXZNGSZTRXMHAU-UHFFFAOYSA-N |
| Molecular Weight | 166.242 g/mol |
| SMILES | C1(=CN(C)C=C(C1)SC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923256 |