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N-(3-(2-Chlorophenyl)propyl)-3,4,5-trimethoxyaniline
SpectraBase Compound ID 8cDDkIbfuxu
InChI InChI=1S/C18H22ClNO3/c1-21-16-11-14(12-17(22-2)18(16)23-3)20-10-6-8-13-7-4-5-9-15(13)19/h4-5,7,9,11-12,20H,6,8,10H2,1-3H3
InChIKey ICEYPZXGJYULNR-UHFFFAOYSA-N
Mol Weight 335.83 g/mol
Molecular Formula C18H22ClNO3
Exact Mass 335.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhtYtB12iQh
Name N-(3-(2-Chlorophenyl)propyl)-3,4,5-trimethoxyaniline
Appearance Slightly yellow oil
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Formula C18H22ClNO3
InChI InChI=1S/C18H22ClNO3/c1-21-16-11-14(12-17(22-2)18(16)23-3)20-10-6-8-13-7-4-5-9-15(13)19/h4-5,7,9,11-12,20H,6,8,10H2,1-3H3
InChIKey ICEYPZXGJYULNR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001337
Molecular Weight 335.831 g/mol
Reported Formula C18H22ClNO3
SMILES N(CCCc1ccccc1Cl)c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-00di-0209000000-3440d99773e4e0dccddf
Source of Spectrum U1-2020-7006-30b
Thin-Layer Chromatography Rf = 0.22 (SiO2, PE/EtOAc, 3:1)
Wiley ID 1861031