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N-(3-Iodobenzyl)-4-methylaniline

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

N-(3-Iodobenzyl)-4-methylaniline
SpectraBase Compound ID 3B2euJA2B7V
InChI InChI=1S/C14H14IN/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3
InChIKey DKEKAOMKTLQCMK-UHFFFAOYSA-N
Mol Weight 323.18 g/mol
Molecular Formula C14H14IN
Exact Mass 323.017094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jtsmaots0wc
Name N-(3-Iodobenzyl)-4-methylaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.017094455 u
Formula C14H14IN
InChI InChI=1S/C14H14IN/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3
InChIKey DKEKAOMKTLQCMK-UHFFFAOYSA-N
Molecular Weight 323.177 g/mol
SMILES C1(NCC2=CC(=CC=C2)I)=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834727