![thiourea, N'-(3-fluorophenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]-](/api/spectrum/2mGDYjJS6f0/structure.png?h=300&w=458 "thiourea, N'-(3-fluorophenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]-")
| SpectraBase Compound ID | D1duOQPSQV9 |
|---|---|
| InChI | InChI=1S/C15H16FN3S/c1-19(10-8-13-6-2-3-9-17-13)15(20)18-14-7-4-5-12(16)11-14/h2-7,9,11H,8,10H2,1H3,(H,18,20) |
| InChIKey | JKAGJOWJSJGFIY-UHFFFAOYSA-N |
| Mol Weight | 289.37 g/mol |
| Molecular Formula | C15H16FN3S |
| Exact Mass | 289.104897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mGDYjJS6f0 |
|---|---|
| Name | Thiourea, N'-(3-fluorophenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.104896864 u |
| Formula | C15H16FN3S |
| InChI | InChI=1S/C15H16FN3S/c1-19(10-8-13-6-2-3-9-17-13)15(20)18-14-7-4-5-12(16)11-14/h2-7,9,11H,8,10H2,1H3,(H,18,20) |
| InChIKey | JKAGJOWJSJGFIY-UHFFFAOYSA-N |
| Molecular Weight | 289.372 g/mol |
| SMILES | N(C(N(CCC=1N=CC=CC1)C)=S)C1=CC(F)=CC=C1 |