![2-(4-Methyl-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine](/api/spectrum/F7PXeoDZBgX/structure.png?h=300&w=458 "2-(4-Methyl-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine")
| SpectraBase Compound ID | KCEKSEe75l8 |
|---|---|
| InChI | InChI=1S/C14H13N3S/c1-10-4-6-11(7-5-10)9-18-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17) |
| InChIKey | ZLFAAJPGZNLASR-UHFFFAOYSA-N |
| Mol Weight | 255.34 g/mol |
| Molecular Formula | C14H13N3S |
| Exact Mass | 255.083019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7PXeoDZBgX |
|---|---|
| Name | 2-(4-Methyl-benzylsulfanyl)-3H-imidazo[4,5-B]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.083018605 u |
| Formula | C14H13N3S |
| InChI | InChI=1S/C14H13N3S/c1-10-4-6-11(7-5-10)9-18-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17) |
| InChIKey | ZLFAAJPGZNLASR-UHFFFAOYSA-N |
| Molecular Weight | 255.339 g/mol |
| SMILES | C1=CN=C2NC(=NC2=C1)SCC=1C=CC(C)=CC1 |