SpectraBase Spectrum ID |
8jMegMM4Cie |
Name |
2H-1,2,3,4-Tetrazole-2-acetamide, N-(3-chloro-4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.051000313 u |
Formula |
C16H10ClF4N5O |
InChI |
InChI=1S/C16H10ClF4N5O/c17-12-7-11(5-6-13(12)18)22-14(27)8-26-24-15(23-25-26)9-1-3-10(4-2-9)16(19,20)21/h1-7H,8H2,(H,22,27) |
InChIKey |
SYTAOGPIRHAPBN-UHFFFAOYSA-N |
Molecular Weight |
399.737 g/mol |
SMILES |
C1=C(C=CC(C2=NN(N=N2)CC(NC2=CC=C(C(=C2)Cl)F)=O)=C1)C(F)(F)F |