For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(3-Iodobenzyl)-2-methylaniline

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

N-(3-Iodobenzyl)-2-methylaniline
SpectraBase Compound ID Hy1xLHKw7rc
InChI InChI=1S/C14H14IN/c1-11-5-2-3-8-14(11)16-10-12-6-4-7-13(15)9-12/h2-9,16H,10H2,1H3
InChIKey OJXUDLBZVNEBFH-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LiIJuYQG3Jc
Name N-(3-Iodobenzyl)-2-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/c1-11-5-2-3-8-14(11)16-10-12-6-4-7-13(15)9-12/h2-9,16H,10H2,1H3
InChIKey OJXUDLBZVNEBFH-UHFFFAOYSA-N
Molecular Weight 323.177 g/mol
SMILES C=1(NCC2=CC(=CC=C2)I)C(=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898575