| SpectraBase Compound ID | EmzGpBmKsPr |
|---|---|
| InChI | InChI=1S/C22H19N3/c1-17-12-14-20(15-13-17)22-21(19-10-6-3-7-11-19)23-24-25(22)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3 |
| InChIKey | QFXILIUPCIBDLD-UHFFFAOYSA-N |
| Mol Weight | 325.42 g/mol |
| Molecular Formula | C22H19N3 |
| Exact Mass | 325.157898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | m9Hi0sB7R |
|---|---|
| Name | 1-Benzyl-5-(4-methylphenyl)-4-phenyl-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.157897624 u |
| Formula | C22H19N3 |
| InChI | InChI=1S/C22H19N3/c1-17-12-14-20(15-13-17)22-21(19-10-6-3-7-11-19)23-24-25(22)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3 |
| InChIKey | QFXILIUPCIBDLD-UHFFFAOYSA-N |
| Molecular Weight | 325.415 g/mol |
| SMILES | C=1(N=NN(C1C=1C=CC(=CC1)C)CC=1C=CC=CC1)C=1C=CC=CC1 |