| SpectraBase Compound ID | 2yoEFX5wR6n |
|---|---|
| InChI | InChI=1S/C20H20N2O/c1-14-18(15(2)23)20(22(3)21-14)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,1-3H3 |
| InChIKey | CBBUQARAEJIHEJ-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 | 4ARGhr1xiyb |
|---|---|
| Name | 1-(5-Benzhydryl-1,3-dimethyl-pyrazol-4-yl)ethanone |
| 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/c1-14-18(15(2)23)20(22(3)21-14)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,1-3H3 |
| InChIKey | CBBUQARAEJIHEJ-UHFFFAOYSA-N |
| Molecular Weight | 304.393 g/mol |
| SMILES | C1(=C(C(C)=NN1C)C(=O)C)C(C1=CC=CC=C1)C1=CC=CC=C1 |