![(S)-2-[(1-Phenylbutyl)thio]-1-methylbenzimidazole](/api/spectrum/FrnO4m3wEzF/structure.png?h=300&w=458 "(S)-2-[(1-Phenylbutyl)thio]-1-methylbenzimidazole")
| SpectraBase Compound ID | KbmXVwu27hs |
|---|---|
| InChI | InChI=1S/C18H20N2S/c1-3-9-17(14-10-5-4-6-11-14)21-18-19-15-12-7-8-13-16(15)20(18)2/h4-8,10-13,17H,3,9H2,1-2H3/t17-/m0/s1 |
| InChIKey | GJAVVWAISRPCAT-KRWDZBQOSA-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 | FrnO4m3wEzF |
|---|---|
| Name | (S)-2-[(1-Phenylbutyl)thio]-1-methylbenzimidazole |
| 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/c1-3-9-17(14-10-5-4-6-11-14)21-18-19-15-12-7-8-13-16(15)20(18)2/h4-8,10-13,17H,3,9H2,1-2H3/t17-/m0/s1 |
| InChIKey | GJAVVWAISRPCAT-KRWDZBQOSA-N |
| SMILES | C1(=NC2=CC=CC=C2N1C)S[C@](C=1C=CC=CC1)(CCC)[H] |