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N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-iodo-benzamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-iodo-benzamide
SpectraBase Compound ID ClQL9PCYAZx
InChI InChI=1S/C17H18INO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKey CCZALEGTCDPXPM-UHFFFAOYSA-N
Mol Weight 411.24 g/mol
Molecular Formula C17H18INO3
Exact Mass 411.033138 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2f1EHPiAdxA
Name N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-iodo-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.033138441 u
Formula C17H18INO3
InChI InChI=1S/C17H18INO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKey CCZALEGTCDPXPM-UHFFFAOYSA-N
Molecular Weight 411.239 g/mol
SMILES C1(=C(C=C(C=C1)CCNC(C1=CC=C(I)C=C1)=O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913715