![(Z)-3-[1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl]acrylonitrile](/api/spectrum/AH7gONmk7V/structure.png?h=300&w=458 "(Z)-3-[1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl]acrylonitrile")
| SpectraBase Compound ID | 4ZIUDLnedTC |
|---|---|
| InChI | InChI=1S/C18H14N4/c19-13-7-12-17-18(16-10-5-2-6-11-16)20-21-22(17)14-15-8-3-1-4-9-15/h1-12H,14H2/b12-7- |
| InChIKey | YQRLZLLESYEBPJ-GHXNOFRVSA-N |
| Mol Weight | 286.34 g/mol |
| Molecular Formula | C18H14N4 |
| Exact Mass | 286.121846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AH7gONmk7V |
|---|---|
| Name | (Z)-3-[1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl]acrylonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.121846467 u |
| Formula | C18H14N4 |
| InChI | InChI=1S/C18H14N4/c19-13-7-12-17-18(16-10-5-2-6-11-16)20-21-22(17)14-15-8-3-1-4-9-15/h1-12H,14H2/b12-7- |
| InChIKey | YQRLZLLESYEBPJ-GHXNOFRVSA-N |
| Molecular Weight | 286.338 g/mol |
| SMILES | C(\C=C/C=1N(N=NC1C=1C=CC=CC1)CC=1C=CC=CC1)#N |