![3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)ethynyl]pyridine](/api/spectrum/EBpi9vUpqA4/structure.png?h=300&w=458 "3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)ethynyl]pyridine")
| SpectraBase Compound ID | JlJ8CJ37GYi |
|---|---|
| InChI | InChI=1S/C16H12N4/c1-2-5-15(6-3-1)12-20-13-16(18-19-20)9-8-14-7-4-10-17-11-14/h1-7,10-11,13H,12H2 |
| InChIKey | GZLIXHDOEMBPLD-UHFFFAOYSA-N |
| Mol Weight | 260.3 g/mol |
| Molecular Formula | C16H12N4 |
| Exact Mass | 260.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBpi9vUpqA4 |
|---|---|
| Name | 3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)ethynyl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.106196402 u |
| Formula | C16H12N4 |
| InChI | InChI=1S/C16H12N4/c1-2-5-15(6-3-1)12-20-13-16(18-19-20)9-8-14-7-4-10-17-11-14/h1-7,10-11,13H,12H2 |
| InChIKey | GZLIXHDOEMBPLD-UHFFFAOYSA-N |
| Molecular Weight | 260.300 g/mol |
| SMILES | C=1(N=NN(C1)CC=1C=CC=CC1)C#CC=1C=NC=CC1 |