![N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-(4-methylphenyl)urea](/api/spectrum/DCGizxVYm9P/structure.png?h=300&w=458 "N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-(4-methylphenyl)urea")
| SpectraBase Compound ID | EVVMzaKj3Ze |
|---|---|
| InChI | InChI=1S/C18H17ClN4O/c1-13-2-8-16(9-3-13)20-18(24)21-17-10-11-23(22-17)12-14-4-6-15(19)7-5-14/h2-11H,12H2,1H3,(H2,20,21,22,24) |
| InChIKey | GHQBPXCHXSSSQX-UHFFFAOYSA-N |
| Mol Weight | 340.81 g/mol |
| Molecular Formula | C18H17ClN4O |
| Exact Mass | 340.109089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCGizxVYm9P |
|---|---|
| Name | N-[1-(4-Chlorobenzyl)-1H-pyrazol-3-yl]-N'-(4-methylphenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.109088882 u |
| Formula | C18H17ClN4O |
| InChI | InChI=1S/C18H17ClN4O/c1-13-2-8-16(9-3-13)20-18(24)21-17-10-11-23(22-17)12-14-4-6-15(19)7-5-14/h2-11H,12H2,1H3,(H2,20,21,22,24) |
| InChIKey | GHQBPXCHXSSSQX-UHFFFAOYSA-N |
| SMILES | N(C(=O)NC1=NN(C=C1)CC1=CC=C(Cl)C=C1)C1=CC=C(C)C=C1 |