![1-[4-(1H-imidazol-5-yl)butyl]-3-phenyl-thiourea](/api/spectrum/ImBBSBJhbH2/structure.png?h=300&w=458 "1-[4-(1H-imidazol-5-yl)butyl]-3-phenyl-thiourea")
| SpectraBase Compound ID | L17ZlH1uBFc |
|---|---|
| InChI | InChI=1S/C14H18N4S/c19-14(18-12-6-2-1-3-7-12)16-9-5-4-8-13-10-15-11-17-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,15,17)(H2,16,18,19) |
| InChIKey | JDTKBTSWGFZPBV-UHFFFAOYSA-N |
| Mol Weight | 274.39 g/mol |
| Molecular Formula | C14H18N4S |
| Exact Mass | 274.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImBBSBJhbH2 |
|---|---|
| Name | 1-[4-(1H-Imidazol-5-yl)butyl]-3-phenyl-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.125217770 u |
| Formula | C14H18N4S |
| InChI | InChI=1S/C14H18N4S/c19-14(18-12-6-2-1-3-7-12)16-9-5-4-8-13-10-15-11-17-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,15,17)(H2,16,18,19) |
| InChIKey | JDTKBTSWGFZPBV-UHFFFAOYSA-N |
| Molecular Weight | 274.386 g/mol |
| SMILES | C(NC1=CC=CC=C1)(=S)NCCCCC=1NC=NC1 |