| SpectraBase Compound ID | L3ILQz0TVGn |
|---|---|
| InChI | InChI=1S/C17H15ClN2/c1-11-3-7-13(8-4-11)16-15(18)17(20-19-16)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20) |
| InChIKey | BXSCVNJLFJAVFZ-UHFFFAOYSA-N |
| Mol Weight | 282.77 g/mol |
| Molecular Formula | C17H15ClN2 |
| Exact Mass | 282.092376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TohIoGnHAJ |
|---|---|
| Name | 4-Chloro-3,5-bis(4-methylphenyl)-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.092376191 u |
| Formula | C17H15ClN2 |
| InChI | InChI=1S/C17H15ClN2/c1-11-3-7-13(8-4-11)16-15(18)17(20-19-16)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,19,20) |
| InChIKey | BXSCVNJLFJAVFZ-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(C=2NN=C(C=3C=CC(=CC3)C)C2Cl)C=C1 |