| SpectraBase Compound ID | CREWC5kCLx0 |
|---|---|
| InChI | InChI=1S/C18H20N2S/c1-15-19-17-11-5-6-12-18(17)20(15)14-21-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-14H2,1H3 |
| InChIKey | HBTMPXYVKFZNBV-UHFFFAOYSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C18H20N2S |
| Exact Mass | 296.13472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Dq4MDfKfop |
|---|---|
| Name | Benzimidazole, 2-methyl-1-(3-phenylpropylthio)methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.134719826 u |
| Formula | C18H20N2S |
| InChI | InChI=1S/C18H20N2S/c1-15-19-17-11-5-6-12-18(17)20(15)14-21-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-14H2,1H3 |
| InChIKey | HBTMPXYVKFZNBV-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CCCSCN1C(=NC2=CC=CC=C12)C |