| SpectraBase Compound ID | IKz7mDS35zW |
|---|---|
| InChI | InChI=1S/C13H18N2S/c1-2-3-4-7-10-16-13-14-11-8-5-6-9-12(11)15-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15) |
| InChIKey | LFOFGGGRNCIICE-UHFFFAOYSA-N |
| Mol Weight | 234.36 g/mol |
| Molecular Formula | C13H18N2S |
| Exact Mass | 234.11907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eNHfZrEYSE |
|---|---|
| Name | 1H-1,3-Benzimidazole, 2-(hexylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.119069762 u |
| Formula | C13H18N2S |
| InChI | InChI=1S/C13H18N2S/c1-2-3-4-7-10-16-13-14-11-8-5-6-9-12(11)15-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15) |
| InChIKey | LFOFGGGRNCIICE-UHFFFAOYSA-N |
| Molecular Weight | 234.361 g/mol |
| SMILES | C1=CC=2N=C(NC2C=C1)SCCCCCC |