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3-[2-(4-Bromophenoxy)acetylhydrazono]-N-(4-fluorophenyl)butyramide
SpectraBase Compound ID EJEkTKUVgKN
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
Mol Weight 422.25 g/mol
Molecular Formula C18H17BrFN3O3
Exact Mass 421.043733 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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