| SpectraBase Compound ID | H5dZwqFF76S |
|---|---|
| InChI | InChI=1S/C20H20N2O/c1-14(17-10-6-4-7-11-17)20(23)19-15(2)21-22(16(19)3)18-12-8-5-9-13-18/h4-14H,1-3H3 |
| InChIKey | OTHRJEAUEYAGAM-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C20H20N2O |
| Exact Mass | 304.157563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48shc7xbPck |
|---|---|
| Name | 1-(3,5-Dimethyl-1-phenyl-4-pyrazolyl)-2-phenyl-1-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.157563271 u |
| Formula | C20H20N2O |
| InChI | InChI=1S/C20H20N2O/c1-14(17-10-6-4-7-11-17)20(23)19-15(2)21-22(16(19)3)18-12-8-5-9-13-18/h4-14H,1-3H3 |
| InChIKey | OTHRJEAUEYAGAM-UHFFFAOYSA-N |
| Molecular Weight | 304.393 g/mol |
| SMILES | C1(=C(N(C2=CC=CC=C2)N=C1C)C)C(C(C1=CC=CC=C1)C)=O |