| SpectraBase Compound ID | 40AWki8NH1P |
|---|---|
| InChI | InChI=1S/C13H18N2S/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,16) |
| InChIKey | WFWILCAZZKHLLP-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 | Hr9c6Wdm4sa |
|---|---|
| Name | 1H-1,3-Benzimidazole-2-thiol, 1-hexyl- |
| 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/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,16) |
| InChIKey | WFWILCAZZKHLLP-UHFFFAOYSA-N |
| Molecular Weight | 234.361 g/mol |
| SMILES | C1=CC=2N=C(N(C2C=C1)CCCCCC)S |