| SpectraBase Spectrum ID |
9WnVPFkGdGo |
| Name |
3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1-(4-ethyl-phenyl)-4,5-dihydro-1H-pyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.049839352 u |
| Formula |
C23H20BrClN2 |
| InChI |
InChI=1S/C23H20BrClN2/c1-2-16-3-13-21(14-4-16)27-23(18-7-11-20(25)12-8-18)15-22(26-27)17-5-9-19(24)10-6-17/h3-14,23H,2,15H2,1H3 |
| InChIKey |
PBDNRYRNOPKWML-UHFFFAOYSA-N |
| Molecular Weight |
439.784 g/mol |
| SMILES |
CCC1=CC=C(N2N=C(C3=CC=C(C=C3)Br)CC2C=2C=CC(Cl)=CC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937764 |
