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N-(4-Iodo-phenyl)-3-[(2-methyl-benzoyl)-hydrazono]-butyramide
SpectraBase Compound ID 85jWYClt8OG
InChI InChI=1S/C18H18IN3O2/c1-12-5-3-4-6-16(12)18(24)22-21-13(2)11-17(23)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,23)(H,22,24)/b21-13+
InChIKey QGDZHNARWVYDDF-FYJGNVAPSA-N
Mol Weight 435.27 g/mol
Molecular Formula C18H18IN3O2
Exact Mass 435.044372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KaGmEYx59RH
Name N-(4-Iodo-phenyl)-3-[(2-methyl-benzoyl)-hydrazono]-butyramide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.044371830 u
Formula C18H18IN3O2
InChI InChI=1S/C18H18IN3O2/c1-12-5-3-4-6-16(12)18(24)22-21-13(2)11-17(23)20-15-9-7-14(19)8-10-15/h3-10H,11H2,1-2H3,(H,20,23)(H,22,24)/b21-13+
InChIKey QGDZHNARWVYDDF-FYJGNVAPSA-N
Molecular Weight 435.265 g/mol
SMILES C1(C(N\N=C\(CC(NC2=CC=C(I)C=C2)=O)C)=O)=C(C=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833275