| SpectraBase Compound ID | JRthqlrbtwq |
|---|---|
| InChI | InChI=1S/C18H18N2O/c1-14-12-18(16-8-10-17(21-2)11-9-16)20(19-14)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3 |
| InChIKey | ZIXXXJFPMYYCSM-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C18H18N2O |
| Exact Mass | 278.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvTu1LBVGXF |
|---|---|
| Name | 1-Benzyl-5-(4-methoxyphenyl)-3-methyl-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.141913207 u |
| Formula | C18H18N2O |
| InChI | InChI=1S/C18H18N2O/c1-14-12-18(16-8-10-17(21-2)11-9-16)20(19-14)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3 |
| InChIKey | ZIXXXJFPMYYCSM-UHFFFAOYSA-N |
| Molecular Weight | 278.355 g/mol |
| SMILES | C1(=NN(C(=C1)C=1C=CC(=CC1)OC)CC=1C=CC=CC1)C |