| SpectraBase Compound ID | FJDGuYuIxBd |
|---|---|
| InChI | InChI=1S/C12H11NS/c1-10-7-8-12(13-9-10)14-11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | GXJIFVWBCGUIGD-UHFFFAOYSA-N |
| Mol Weight | 201.29 g/mol |
| Molecular Formula | C12H11NS |
| Exact Mass | 201.061221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JS608GgyPGR |
|---|---|
| Name | 5-Methyl-2-(phenylthio)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.061220532 u |
| Formula | C12H11NS |
| InChI | InChI=1S/C12H11NS/c1-10-7-8-12(13-9-10)14-11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | GXJIFVWBCGUIGD-UHFFFAOYSA-N |
| Molecular Weight | 201.287 g/mol |
| SMILES | C=1(C=CC(SC2=CC=CC=C2)=NC1)C |