| SpectraBase Compound ID | 5ybGlBfQMkj |
|---|---|
| InChI | InChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H |
| InChIKey | LZGBMIZREYTWRI-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C16H12N2O |
| Exact Mass | 248.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3rsBVSQraG |
|---|---|
| Name | 1H-Pyrazole-4-carboxaldehyde, 1,3-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.094963013 u |
| Formula | C16H12N2O |
| InChI | InChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H |
| InChIKey | LZGBMIZREYTWRI-UHFFFAOYSA-N |
| Molecular Weight | 248.285 g/mol |
| SMILES | C(=O)C=1C(=NN(C1)C1=CC=CC=C1)C1=CC=CC=C1 |