| SpectraBase Compound ID | Fas2pZutWg9 |
|---|---|
| InChI | InChI=1S/C17H15N3O2/c1-13-11-17(15-7-9-16(10-8-15)20(21)22)19(18-13)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3 |
| InChIKey | WMOHYKOJQITOFA-UHFFFAOYSA-N |
| Mol Weight | 293.33 g/mol |
| Molecular Formula | C17H15N3O2 |
| Exact Mass | 293.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pp5eVdvddx |
|---|---|
| Name | 1-Benzyl-3-methyl-5-(4-nitrophenyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.116426733 u |
| Formula | C17H15N3O2 |
| InChI | InChI=1S/C17H15N3O2/c1-13-11-17(15-7-9-16(10-8-15)20(21)22)19(18-13)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3 |
| InChIKey | WMOHYKOJQITOFA-UHFFFAOYSA-N |
| SMILES | C1(=NN(C(=C1)C=1C=CC(=CC1)N(=O)=O)CC=1C=CC=CC1)C |