| SpectraBase Spectrum ID |
Jsaza2t4SzX |
| Name |
(4Z)-2-(4-Chlorophenyl)-4-[(2-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.979184750 u |
| Formula |
C17H13ClIN3O |
| InChI |
InChI=1S/C17H13ClIN3O/c1-11-14(10-20-16-5-3-2-4-15(16)19)17(23)22(21-11)13-8-6-12(18)7-9-13/h2-10,20H,1H3/b14-10- |
| InChIKey |
UIOBDWGEIRAPIU-UVTDQMKNSA-N |
| Molecular Weight |
437.668 g/mol |
| SMILES |
C1=CC(=C(N\C=C/2C(N(C=3C=CC(Cl)=CC3)N=C2C)=O)C=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806917 |
![(4Z)-2-(4-chlorophenyl)-4-[(2-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one](/api/spectrum/Jsaza2t4SzX/structure.png?h=300&w=458 "(4Z)-2-(4-chlorophenyl)-4-[(2-iodoanilino)methylene]-5-methyl-2-pyrazolin-3-one")
