| SpectraBase Spectrum ID |
CpxkArgGEUb |
| Name |
(3E)-3-[2-(2-Bromanyl-4-methyl-phenoxy)ethanoylhydrazinylidene]-N-(2-chlorophenyl)butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.029832181 u |
| Formula |
C19H19BrClN3O3 |
| InChI |
InChI=1S/C19H19BrClN3O3/c1-12-7-8-17(14(20)9-12)27-11-19(26)24-23-13(2)10-18(25)22-16-6-4-3-5-15(16)21/h3-9H,10-11H2,1-2H3,(H,22,25)(H,24,26)/b23-13+ |
| InChIKey |
CGJOOQCUYQGQEX-YDZHTSKRSA-N |
| Molecular Weight |
452.736 g/mol |
| SMILES |
C(NC1=C(Cl)C=CC=C1)(C\C(=N\NC(=O)COC=1C(=CC(=CC1)C)Br)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967392 |
![(3E)-3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylhydrazinylidene]-N-(2-chlorophenyl)butanamide](/api/spectrum/CpxkArgGEUb/structure.png?h=300&w=458 "(3E)-3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylhydrazinylidene]-N-(2-chlorophenyl)butanamide")
