| SpectraBase Compound ID | BNWApakFOyk |
|---|---|
| InChI | InChI=1S/C7H9NS/c1-6-3-4-7(9-2)8-5-6/h3-5H,1-2H3 |
| InChIKey | HZBGBWMWWMSKPT-UHFFFAOYSA-N |
| Mol Weight | 139.22 g/mol |
| Molecular Formula | C7H9NS |
| Exact Mass | 139.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GR1wtNzPNNO |
|---|---|
| Name | 5-Methyl-2-(methylsulfanyl)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.045570468 u |
| Formula | C7H9NS |
| InChI | InChI=1S/C7H9NS/c1-6-3-4-7(9-2)8-5-6/h3-5H,1-2H3 |
| InChIKey | HZBGBWMWWMSKPT-UHFFFAOYSA-N |
| Molecular Weight | 139.216 g/mol |
| SMILES | C1(=NC=C(C=C1)C)SC |