![1-Benzyl-3-[4-(1H-imidazol-5-yl)butyl]thiourea](/api/spectrum/8goxOR6YPjn/structure.png?h=300&w=458 "1-Benzyl-3-[4-(1H-imidazol-5-yl)butyl]thiourea")
| SpectraBase Compound ID | 2y0XaOJE1AT |
|---|---|
| InChI | InChI=1S/C15H20N4S/c20-15(18-10-13-6-2-1-3-7-13)17-9-5-4-8-14-11-16-12-19-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,16,19)(H2,17,18,20) |
| InChIKey | JXZWOXSMGANMAP-UHFFFAOYSA-N |
| Mol Weight | 288.41 g/mol |
| Molecular Formula | C15H20N4S |
| Exact Mass | 288.140868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8goxOR6YPjn |
|---|---|
| Name | 1-Benzyl-3-[4-(1H-imidazol-5-yl)butyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.140867834 u |
| Formula | C15H20N4S |
| InChI | InChI=1S/C15H20N4S/c20-15(18-10-13-6-2-1-3-7-13)17-9-5-4-8-14-11-16-12-19-14/h1-3,6-7,11-12H,4-5,8-10H2,(H,16,19)(H2,17,18,20) |
| InChIKey | JXZWOXSMGANMAP-UHFFFAOYSA-N |
| SMILES | C(=S)(NCC1=CC=CC=C1)NCCCCC=1NC=NC1 |