| SpectraBase Compound ID | 3e5WtownBqq |
|---|---|
| InChI | InChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22-24(23-20)18-14-8-3-9-15-18/h1-15H |
| InChIKey | WKVSCWZXWYDTLC-UHFFFAOYSA-N |
| Mol Weight | 325.37 g/mol |
| Molecular Formula | C21H15N3O |
| Exact Mass | 325.121512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUESKWjLBa1 |
|---|---|
| Name | (2,5-Diphenyl-1,2,3-triazol-4-yl)-phenyl-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.121512114 u |
| Formula | C21H15N3O |
| InChI | InChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22-24(23-20)18-14-8-3-9-15-18/h1-15H |
| InChIKey | WKVSCWZXWYDTLC-UHFFFAOYSA-N |
| Molecular Weight | 325.371 g/mol |
| SMILES | C1(=NN(C=2C=CC=CC2)N=C1C1=CC=CC=C1)C(=O)C1=CC=CC=C1 |