| SpectraBase Compound ID | 3USymLMgxit |
|---|---|
| InChI | InChI=1S/C19H21N3/c1-2-3-4-5-6-7-8-12-15-19-17-22(21-20-19)16-18-13-10-9-11-14-18/h9-11,13-14,17H,2-6,16H2,1H3 |
| InChIKey | GIFQSICKZGJQRX-UHFFFAOYSA-N |
| Mol Weight | 291.4 g/mol |
| Molecular Formula | C19H21N3 |
| Exact Mass | 291.173548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XR31W5j90c |
|---|---|
| Name | 1-Benzyl-4-(deca-1,3-diyn-1-yl)-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.173547688 u |
| Formula | C19H21N3 |
| InChI | InChI=1S/C19H21N3/c1-2-3-4-5-6-7-8-12-15-19-17-22(21-20-19)16-18-13-10-9-11-14-18/h9-11,13-14,17H,2-6,16H2,1H3 |
| InChIKey | GIFQSICKZGJQRX-UHFFFAOYSA-N |
| Molecular Weight | 291.398 g/mol |
| SMILES | C1(=CN(CC=2C=CC=CC2)N=N1)C#CC#CCCCCCC |