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N-(2-Chlorobenzyl)-2-methylaniline

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

N-(2-Chlorobenzyl)-2-methylaniline
SpectraBase Compound ID CpMKubXdUFu
InChI InChI=1S/C14H14ClN/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15/h2-9,16H,10H2,1H3
InChIKey ZSCKQDIDYHJRDQ-UHFFFAOYSA-N
Mol Weight 231.73 g/mol
Molecular Formula C14H14ClN
Exact Mass 231.081477 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G7Qzfa0lXWn
Name N-(2-Chlorobenzyl)-2-methylaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.081477155 u
Formula C14H14ClN
InChI InChI=1S/C14H14ClN/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15/h2-9,16H,10H2,1H3
InChIKey ZSCKQDIDYHJRDQ-UHFFFAOYSA-N
Molecular Weight 231.726 g/mol
SMILES C1(NCC2=C(C=CC=C2)Cl)=C(C=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902521