| SpectraBase Compound ID | 379qexiltqr |
|---|---|
| InChI | InChI=1S/C17H17N3O/c1-13-5-3-4-6-16(13)17-12-20(19-18-17)11-14-7-9-15(21-2)10-8-14/h3-10,12H,11H2,1-2H3 |
| InChIKey | CFJXTCCBOUEFOT-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C17H17N3O |
| Exact Mass | 279.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GvAEUozy5P |
|---|---|
| Name | 1-(4-Methoxybenzyl)-4-(2-methylphenyl)-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.137162178 u |
| Formula | C17H17N3O |
| InChI | InChI=1S/C17H17N3O/c1-13-5-3-4-6-16(13)17-12-20(19-18-17)11-14-7-9-15(21-2)10-8-14/h3-10,12H,11H2,1-2H3 |
| InChIKey | CFJXTCCBOUEFOT-UHFFFAOYSA-N |
| Molecular Weight | 279.343 g/mol |
| SMILES | COC1=CC=C(C=C1)CN1N=NC(=C1)C1=C(C=CC=C1)C |