SpectraBase Spectrum ID |
AnVllc7MzwP |
Name |
3-[2-(4-Bromophenoxy)acetylhydrazono]-N-(4-fluorophenyl)butyramide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
421.043732579 u |
Formula |
C18H17BrFN3O3 |
InChI |
InChI=1S/C18H17BrFN3O3/c1-12(10-17(24)21-15-6-4-14(20)5-7-15)22-23-18(25)11-26-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,21,24)(H,23,25)/b22-12+ |
InChIKey |
XEUZLZPWIXGHCO-WSDLNYQXSA-N |
Molecular Weight |
422.254 g/mol |
SMILES |
C(C\C(C)=N\NC(=O)COC1=CC=C(C=C1)Br)(NC1=CC=C(C=C1)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943508 |