| SpectraBase Compound ID | 3V5g9wF16RD |
|---|---|
| InChI | InChI=1S/C18H17ClN2/c1-12-4-8-14(9-5-12)17-16(19)18(21(3)20-17)15-10-6-13(2)7-11-15/h4-11H,1-3H3 |
| InChIKey | XBUHZCRMXZYSRD-UHFFFAOYSA-N |
| Mol Weight | 296.8 g/mol |
| Molecular Formula | C18H17ClN2 |
| Exact Mass | 296.108026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Da9ZFt8cm6 |
|---|---|
| Name | 4-Chloro-1-methyl-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 | 296.108026255 u |
| Formula | C18H17ClN2 |
| InChI | InChI=1S/C18H17ClN2/c1-12-4-8-14(9-5-12)17-16(19)18(21(3)20-17)15-10-6-13(2)7-11-15/h4-11H,1-3H3 |
| InChIKey | XBUHZCRMXZYSRD-UHFFFAOYSA-N |
| Molecular Weight | 296.801 g/mol |
| SMILES | CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C1=CC=C(C)C=C1 |