| SpectraBase Spectrum ID |
D0hpqfJ5dUa |
| Name |
2-Pyrazoline, 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.020659722 u |
| Formula |
C21H14Cl3FN2 |
| InChI |
InChI=1S/C21H14Cl3FN2/c22-15-5-1-14(2-6-15)20-12-19(13-3-8-17(25)9-4-13)26-27(20)21-11-16(23)7-10-18(21)24/h1-11,20H,12H2 |
| InChIKey |
CZFUWBFMYXKGCI-UHFFFAOYSA-N |
| Molecular Weight |
419.714 g/mol |
| SMILES |
C1=CC(=CC=C1Cl)C1N(C2=CC(Cl)=CC=C2Cl)N=C(C2=CC=C(F)C=C2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903711 |
