| SpectraBase Compound ID | JIulGP96NZp |
|---|---|
| InChI | InChI=1S/C14H14N2O/c1-11-3-6-13(7-4-11)14(17)8-5-12-9-15-16(2)10-12/h3-10H,1-2H3/b8-5+ |
| InChIKey | WWGUUDGKKDWVGO-VMPITWQZSA-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 | I4DwEAd4tXt |
|---|---|
| Name | (2E)-1-(4-Methylphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-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/c1-11-3-6-13(7-4-11)14(17)8-5-12-9-15-16(2)10-12/h3-10H,1-2H3/b8-5+ |
| InChIKey | WWGUUDGKKDWVGO-VMPITWQZSA-N |
| Molecular Weight | 226.279 g/mol |
| SMILES | CC=1C=CC(C(\C=C\C=2C=NN(C2)C)=O)=CC1 |