![(E)-3-[1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl]propenal](/api/spectrum/CqvbGelPAGH/structure.png?h=300&w=458 "(E)-3-[1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl]propenal")
| SpectraBase Compound ID | 2JO2HZ9pSLz |
|---|---|
| InChI | InChI=1S/C18H15N3O/c22-13-7-12-17-18(16-10-5-2-6-11-16)19-20-21(17)14-15-8-3-1-4-9-15/h1-13H,14H2/b12-7+ |
| InChIKey | PMNJFKGICBKQQO-KPKJPENVSA-N |
| Mol Weight | 289.34 g/mol |
| Molecular Formula | C18H15N3O |
| Exact Mass | 289.121512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CqvbGelPAGH |
|---|---|
| Name | (E)-3-[1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl]propenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.121512114 u |
| Formula | C18H15N3O |
| InChI | InChI=1S/C18H15N3O/c22-13-7-12-17-18(16-10-5-2-6-11-16)19-20-21(17)14-15-8-3-1-4-9-15/h1-13H,14H2/b12-7+ |
| InChIKey | PMNJFKGICBKQQO-KPKJPENVSA-N |
| Molecular Weight | 289.338 g/mol |
| SMILES | C(\C=C\C=1N(N=NC1C=1C=CC=CC1)CC=1C=CC=CC1)=O |