| SpectraBase Compound ID | HN94Ogs0zTE |
|---|---|
| InChI | InChI=1S/C14H14N2O/c1-2-16-11-12(10-15-16)8-9-14(17)13-6-4-3-5-7-13/h3-11H,2H2,1H3/b9-8+ |
| InChIKey | SCUVBJNDGRUJRV-CMDGGOBGSA-N |
| Mol Weight | 226.28 g/mol |
| Molecular Formula | C14H14N2O |
| Exact Mass | 226.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBuiIF2jRjw |
|---|---|
| Name | (E)-3-(1-Ethyl-4-pyrazolyl)-1-phenyl-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.110613078 u |
| Formula | C14H14N2O |
| InChI | InChI=1S/C14H14N2O/c1-2-16-11-12(10-15-16)8-9-14(17)13-6-4-3-5-7-13/h3-11H,2H2,1H3/b9-8+ |
| InChIKey | SCUVBJNDGRUJRV-CMDGGOBGSA-N |
| Molecular Weight | 226.279 g/mol |
| SMILES | C1(=CC=CC=C1)C(\C=C\C=1C=NN(C1)CC)=O |