| SpectraBase Compound ID | DuDyLEyZcJ7 |
|---|---|
| InChI | InChI=1S/C14H14N2O/c1-11-13(10-16(2)15-11)8-9-14(17)12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+ |
| InChIKey | AAYYSLIYNKMBPH-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 | ICr0Kd44tkY |
|---|---|
| Name | (2E)-3-(1,3-Dimethyl-1H-pyrazol-4-yl)-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/c1-11-13(10-16(2)15-11)8-9-14(17)12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+ |
| InChIKey | AAYYSLIYNKMBPH-CMDGGOBGSA-N |
| Molecular Weight | 226.279 g/mol |
| SMILES | C1=CC=C(C(\C=C\C=2C(=NN(C2)C)C)=O)C=C1 |