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N-(2-Bromobenzyl)-2,5-dimethoxy-4-iodophenethylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-(2-Bromobenzyl)-2,5-dimethoxy-4-iodophenethylamine
SpectraBase Compound ID 1dxOnFFSE1v
InChI InChI=1S/C17H19BrINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKey ADDLNRCAJSUYGS-UHFFFAOYSA-N
Mol Weight 476.15 g/mol
Molecular Formula C17H19BrINO2
Exact Mass 474.964387 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gdjp5DsTphV
Name N-(2-Bromobenzyl)-2,5-dimethoxy-4-iodophenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.964386854 u
Formula C17H19BrINO2
InChI InChI=1S/C17H19BrINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKey ADDLNRCAJSUYGS-UHFFFAOYSA-N
Molecular Weight 476.152 g/mol
SMILES C=1(C(=CC(=C(C1)OC)I)OC)CCNCC=1C(=CC=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833437