| SpectraBase Spectrum ID |
3paCIIIUk4S |
| Name |
3-Benzyl-5-(2',4',5'-trifluorophenyl)-3H-(1,2,3)-triazole-4-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.077930795 u |
| Formula |
C16H9F3N4 |
| InChI |
InChI=1S/C16H9F3N4/c17-12-7-14(19)13(18)6-11(12)16-15(8-20)23(22-21-16)9-10-4-2-1-3-5-10/h1-7H,9H2 |
| InChIKey |
VDWUCDJROIQUMB-UHFFFAOYSA-N |
| Molecular Weight |
314.271 g/mol |
| SMILES |
C1(=C(N(CC=2C=CC=CC2)N=N1)C#N)C=1C(=CC(=C(C1)F)F)F |
