| SpectraBase Spectrum ID |
Bi0rP5eQSgZ |
| Name |
1-(4-Bromo-2-ethyl-phenyl)-5-(4-bromo-phenyl)-3-(4-chloro-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 |
515.960352320 u |
| Formula |
C23H19Br2ClN2 |
| InChI |
InChI=1S/C23H19Br2ClN2/c1-2-15-13-19(25)9-12-22(15)28-23(17-3-7-18(24)8-4-17)14-21(27-28)16-5-10-20(26)11-6-16/h3-13,23H,2,14H2,1H3 |
| InChIKey |
MICTTYMCZRJBMU-UHFFFAOYSA-N |
| Molecular Weight |
518.680 g/mol |
| SMILES |
CCC=1C(N2N=C(C3=CC=C(C=C3)Cl)CC2C2=CC=C(Br)C=C2)=CC=C(Br)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864117 |
