| SpectraBase Spectrum ID |
8fiiAOKL1r |
| Name |
3-(4-Bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.979566891 u |
| Formula |
C21H15BrCl2N2 |
| InChI |
InChI=1S/C21H15BrCl2N2/c22-16-9-5-15(6-10-16)21-13-19(14-7-11-17(23)12-8-14)25-26(21)20-4-2-1-3-18(20)24/h1-12,21H,13H2 |
| InChIKey |
WGOXKSRNZVWHKS-UHFFFAOYSA-N |
| Molecular Weight |
446.175 g/mol |
| SMILES |
C1=CC=C(N2N=C(C3=CC=C(C=C3)Cl)CC2C2=CC=C(C=C2)Br)C(Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932738 |
