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N-(3-(2-Chlorophenyl)propyl)-4-(trifluoromethoxy)aniline
SpectraBase Compound ID IFezEJu48Fl
InChI InChI=1S/C16H15ClF3NO/c17-15-6-2-1-4-12(15)5-3-11-21-13-7-9-14(10-8-13)22-16(18,19)20/h1-2,4,6-10,21H,3,5,11H2
InChIKey JSEMENKMOHDSTH-UHFFFAOYSA-N
Mol Weight 329.75 g/mol
Molecular Formula C16H15ClF3NO
Exact Mass 329.079426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xt8SFuHRJi
Name N-(3-(2-Chlorophenyl)propyl)-4-(trifluoromethoxy)aniline
Appearance Slightly yellow oil
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Formula C16H15ClF3NO
InChI InChI=1S/C16H15ClF3NO/c17-15-6-2-1-4-12(15)5-3-11-21-13-7-9-14(10-8-13)22-16(18,19)20/h1-2,4,6-10,21H,3,5,11H2
InChIKey JSEMENKMOHDSTH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001337
Molecular Weight 329.750 g/mol
Reported Formula C16H15ClF3NO
SMILES N(CCCc1c(cccc1)Cl)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0006-0901000000-05ee934f6bb6474d057a
Source of Spectrum U1-2020-7007-33b
Thin-Layer Chromatography Rf = 0.18 (SiO2, PE/EtOAc, 30:1)
Wiley ID 1861037