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N-(3-Iodobenzyl)-2-methoxybenzeneethanamine

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

N-(3-Iodobenzyl)-2-methoxybenzeneethanamine
SpectraBase Compound ID Hr2Q7QjjRHd
InChI InChI=1S/C16H18INO/c1-19-16-8-3-2-6-14(16)9-10-18-12-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3
InChIKey KHIONDGTCYIJMF-UHFFFAOYSA-N
Mol Weight 367.23 g/mol
Molecular Formula C16H18INO
Exact Mass 367.043309 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I8O55ghYXX8
Name N-(3-Iodobenzyl)-2-methoxybenzeneethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.043309203 u
Formula C16H18INO
InChI InChI=1S/C16H18INO/c1-19-16-8-3-2-6-14(16)9-10-18-12-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3
InChIKey KHIONDGTCYIJMF-UHFFFAOYSA-N
Molecular Weight 367.230 g/mol
SMILES C=1(C(=CC=CC1)OC)CCNCC=1C=C(C=CC1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968045