| SpectraBase Compound ID | 1zPCS7SUMsq |
|---|---|
| InChI | InChI=1S/C16H14ClN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2 |
| InChIKey | IQUKOFFBEYEYEI-UHFFFAOYSA-N |
| Mol Weight | 283.76 g/mol |
| Molecular Formula | C16H14ClN3 |
| Exact Mass | 283.087625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kolw0Is0lhV |
|---|---|
| Name | 1-Benzyl-3-(4-chlorophenyl)-1H-pyrazol-5-ylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.087625163 u |
| Formula | C16H14ClN3 |
| InChI | InChI=1S/C16H14ClN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2 |
| InChIKey | IQUKOFFBEYEYEI-UHFFFAOYSA-N |
| Molecular Weight | 283.762 g/mol |
| SMILES | NC1=CC(=NN1CC1=CC=CC=C1)C1=CC=C(C=C1)Cl |