| SpectraBase Compound ID | 20vPPIsEZrl |
|---|---|
| InChI | InChI=1S/C22H27N3/c1-2-3-4-5-6-13-18-25-22(20-16-11-8-12-17-20)21(23-24-25)19-14-9-7-10-15-19/h7-12,14-17H,2-6,13,18H2,1H3 |
| InChIKey | VUPMRPNOBZDADN-UHFFFAOYSA-N |
| Mol Weight | 333.48 g/mol |
| Molecular Formula | C22H27N3 |
| Exact Mass | 333.220498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IVu07qvhWB |
|---|---|
| Name | 1-Octyl-4,5-diphenyl-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.220497881 u |
| Formula | C22H27N3 |
| InChI | InChI=1S/C22H27N3/c1-2-3-4-5-6-13-18-25-22(20-16-11-8-12-17-20)21(23-24-25)19-14-9-7-10-15-19/h7-12,14-17H,2-6,13,18H2,1H3 |
| InChIKey | VUPMRPNOBZDADN-UHFFFAOYSA-N |
| Molecular Weight | 333.479 g/mol |
| SMILES | C=1(N=NN(C1C=1C=CC=CC1)CCCCCCCC)C=1C=CC=CC1 |