| SpectraBase Spectrum ID |
EtrPyJ0JzEX |
| Name |
4,4'-(2,4-Dichlorophenylmethylene)bis[1-(4-chlorophenyl)-3-methyl-5(4H)-pyrazolone] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
572.034036698 u |
| Formula |
C27H20Cl4N4O2 |
| InChI |
InChI=1S/C27H20Cl4N4O2/c1-14-23(26(36)34(32-14)19-8-3-16(28)4-9-19)25(21-12-7-18(30)13-22(21)31)24-15(2)33-35(27(24)37)20-10-5-17(29)6-11-20/h3-13,23-25H,1-2H3 |
| InChIKey |
SNSHVQWAEKAAOL-UHFFFAOYSA-N |
| Molecular Weight |
574.295 g/mol |
| SMILES |
C1=C(C=C(C(=C1)C(C1C(N(C2=CC=C(C=C2)Cl)N=C1C)=O)C1C(N(C2=CC=C(C=C2)Cl)N=C1C)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84601 |
![4,4'-(2,4-Dichlorophenylmethylene)bis[1-(4-chlorophenyl)-3-methyl-5(4H)-pyrazolone]](/api/spectrum/EtrPyJ0JzEX/structure.png?h=300&w=458 "4,4'-(2,4-Dichlorophenylmethylene)bis[1-(4-chlorophenyl)-3-methyl-5(4H)-pyrazolone]")
