| SpectraBase Compound ID | G8C7QtyaqkR |
|---|---|
| InChI | InChI=1S/C18H14N2O2/c1-12(21)16-15(13-8-4-2-5-9-13)17(20-19-16)18(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20) |
| InChIKey | QQUACNGMTBGJJJ-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C18H14N2O2 |
| Exact Mass | 290.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zdAoIqSmGB |
|---|---|
| Name | 5-Acetyl-4-phenyl-1H-pyrazol-3-ylphenylmethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.105527697 u |
| Formula | C18H14N2O2 |
| InChI | InChI=1S/C18H14N2O2/c1-12(21)16-15(13-8-4-2-5-9-13)17(20-19-16)18(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20) |
| InChIKey | QQUACNGMTBGJJJ-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C(=O)C)NN1)C1=CC=CC=C1)C(=O)C1=CC=CC=C1 |