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N-(1,5-Bis(2-chloro-4-methylphenyl)pentan-3-yl)aniline
SpectraBase Compound ID DTqH1BKXFlJ
InChI InChI=1S/C25H27Cl2N/c1-18-8-10-20(24(26)16-18)12-14-23(28-22-6-4-3-5-7-22)15-13-21-11-9-19(2)17-25(21)27/h3-11,16-17,23,28H,12-15H2,1-2H3
InChIKey WTVHXLIWKBUTLX-UHFFFAOYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C25H27Cl2N
Exact Mass 411.152055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnjySXqxUzL
Name N-(1,5-Bis(2-chloro-4-methylphenyl)pentan-3-yl)aniline
Appearance Slightly yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27Cl2N
InChI InChI=1S/C25H27Cl2N/c1-18-8-10-20(24(26)16-18)12-14-23(28-22-6-4-3-5-7-22)15-13-21-11-9-19(2)17-25(21)27/h3-11,16-17,23,28H,12-15H2,1-2H3
InChIKey WTVHXLIWKBUTLX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001337
Molecular Weight 412.404 g/mol
Reported Formula C25H27Cl2N
SMILES N(C(CCc1c(cc(cc1)C)Cl)CCc1c(Cl)cc(cc1)C)c1ccccc1
SPLASH splash10-0a4r-0590100000-e48b60fbe7f9a5f10ce1
Source of Spectrum U1-2020-7010-49c
Thin-Layer Chromatography Rf = 0.32 (SiO2, PE/EtOAc, 30:1)
Wiley ID 1861055