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N,N-Bis(3-iodobenzyl)-3,4-dimethoxy-benzeneethanamine

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

N,N-Bis(3-iodobenzyl)-3,4-dimethoxy-benzeneethanamine
SpectraBase Compound ID Ghnt5NE98dR
InChI InChI=1S/C24H25I2NO2/c1-28-23-10-9-18(15-24(23)29-2)11-12-27(16-19-5-3-7-21(25)13-19)17-20-6-4-8-22(26)14-20/h3-10,13-15H,11-12,16-17H2,1-2H3
InChIKey CVIQPBQCQWUEOL-UHFFFAOYSA-N
Mol Weight 613.28 g/mol
Molecular Formula C24H25I2NO2
Exact Mass 612.997469 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EM5dUIPydmn
Name N,N-bis(3-Iodobenzyl)-3,4-dimethoxy-benzeneethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.997469047 u
Formula C24H25I2NO2
InChI InChI=1S/C24H25I2NO2/c1-28-23-10-9-18(15-24(23)29-2)11-12-27(16-19-5-3-7-21(25)13-19)17-20-6-4-8-22(26)14-20/h3-10,13-15H,11-12,16-17H2,1-2H3
InChIKey CVIQPBQCQWUEOL-UHFFFAOYSA-N
Molecular Weight 613.278 g/mol
SMILES C(N(CC=1C=C(C=CC1)I)CCC=1C=C(C(=CC1)OC)OC)C=1C=C(C=CC1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945035