| SpectraBase Compound ID | Bvr5bpDNUpC |
|---|---|
| InChI | InChI=1S/C17H14N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-12H,1H3 |
| InChIKey | PUUGVPPTLNTKIM-UHFFFAOYSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C17H14N2O |
| Exact Mass | 262.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4vc6VsKsKp |
|---|---|
| Name | 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.110613078 u |
| Formula | C17H14N2O |
| InChI | InChI=1S/C17H14N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-12H,1H3 |
| InChIKey | PUUGVPPTLNTKIM-UHFFFAOYSA-N |
| Molecular Weight | 262.312 g/mol |
| SMILES | C1(=NN(C=C1C=O)C1=CC=CC=C1)C1=CC=C(C=C1)C |