| SpectraBase Compound ID | 2wcD3puWOQH |
|---|---|
| InChI | InChI=1S/C14H16N2O/c1-9-4-6-12(7-5-9)14(17)8-13-10(2)15-16-11(13)3/h4-7H,8H2,1-3H3,(H,15,16) |
| InChIKey | LESLVZTXZYEMJV-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C14H16N2O |
| Exact Mass | 228.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkMPQq1dudC |
|---|---|
| Name | 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.126263142 u |
| Formula | C14H16N2O |
| InChI | InChI=1S/C14H16N2O/c1-9-4-6-12(7-5-9)14(17)8-13-10(2)15-16-11(13)3/h4-7H,8H2,1-3H3,(H,15,16) |
| InChIKey | LESLVZTXZYEMJV-UHFFFAOYSA-N |
| Molecular Weight | 228.295 g/mol |
| SMILES | C1(CC(C2=CC=C(C=C2)C)=O)=C(NN=C1C)C |