| SpectraBase Compound ID | L6D06O4mpJC |
|---|---|
| InChI | InChI=1S/C16H12N4/c1-12-7-9-14(10-8-12)20-15(11-17)16(18-19-20)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | TWNVMIPSRBYPHS-UHFFFAOYSA-N |
| Mol Weight | 260.3 g/mol |
| Molecular Formula | C16H12N4 |
| Exact Mass | 260.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E8CQSazFctK |
|---|---|
| Name | 1-(4-Methylphenyl)-4-phenyl-1H-1,2,3-triazole-5-carbonitrile |
| 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/c1-12-7-9-14(10-8-12)20-15(11-17)16(18-19-20)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | TWNVMIPSRBYPHS-UHFFFAOYSA-N |
| Molecular Weight | 260.300 g/mol |
| SMILES | C=1(N(N=NC1C=1C=CC=CC1)C=1C=CC(=CC1)C)C#N |