| SpectraBase Compound ID | Ld5ezQQkXoq |
|---|---|
| InChI | InChI=1S/C14H18N2S/c1-3-5-10-16-13-9-7-6-8-12(13)15-14(16)17-11-4-2/h4,6-9H,2-3,5,10-11H2,1H3 |
| InChIKey | NSGJZTYLUIHBLJ-UHFFFAOYSA-N |
| Mol Weight | 246.37 g/mol |
| Molecular Formula | C14H18N2S |
| Exact Mass | 246.11907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C28K2F4NAOx |
|---|---|
| Name | 1-Butyl-2-(prop-2-enylthio)benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.119069762 u |
| Formula | C14H18N2S |
| InChI | InChI=1S/C14H18N2S/c1-3-5-10-16-13-9-7-6-8-12(13)15-14(16)17-11-4-2/h4,6-9H,2-3,5,10-11H2,1H3 |
| InChIKey | NSGJZTYLUIHBLJ-UHFFFAOYSA-N |
| Molecular Weight | 246.372 g/mol |
| SMILES | C1(=NC2=CC=CC=C2N1CCCC)SCC=C |