| SpectraBase Compound ID | B6nJcBzbgsa |
|---|---|
| InChI | InChI=1S/C17H14N2O/c1-13-16(17(20)14-8-4-2-5-9-14)12-18-19(13)15-10-6-3-7-11-15/h2-12H,1H3 |
| InChIKey | PMAWJLAPWOCAEP-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 | 9fE4GUA7XXO |
|---|---|
| Name | (5-Methyl-1-phenyl-4-pyrazolyl)-phenylmethanone |
| 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/c1-13-16(17(20)14-8-4-2-5-9-14)12-18-19(13)15-10-6-3-7-11-15/h2-12H,1H3 |
| InChIKey | PMAWJLAPWOCAEP-UHFFFAOYSA-N |
| Molecular Weight | 262.312 g/mol |
| SMILES | C1(=C(N(C=2C=CC=CC2)N=C1)C)C(=O)C1=CC=CC=C1 |