| SpectraBase Compound ID | CyzkSBr8wOX |
|---|---|
| InChI | InChI=1S/C19H18N2O/c1-14-18(13-19(22)16-9-5-3-6-10-16)15(2)21(20-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3 |
| InChIKey | KNSSGUWHKNMIBV-UHFFFAOYSA-N |
| Mol Weight | 290.37 g/mol |
| Molecular Formula | C19H18N2O |
| Exact Mass | 290.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WVR9BVPybL |
|---|---|
| Name | 2-(3,5-Dimethyl-1-phenyl-4-pyrazolyl)-1-phenylethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.141913207 u |
| Formula | C19H18N2O |
| InChI | InChI=1S/C19H18N2O/c1-14-18(13-19(22)16-9-5-3-6-10-16)15(2)21(20-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3 |
| InChIKey | KNSSGUWHKNMIBV-UHFFFAOYSA-N |
| SMILES | C1(=NN(C(=C1CC(=O)C1=CC=CC=C1)C)C=1C=CC=CC1)C |