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N-(3-(2-Chloro-3-(trifluoromethyl)phenyl)propyl)aniline
SpectraBase Compound ID IT1aauGQH5C
InChI InChI=1S/C16H15ClF3N/c17-15-12(6-4-10-14(15)16(18,19)20)7-5-11-21-13-8-2-1-3-9-13/h1-4,6,8-10,21H,5,7,11H2
InChIKey LRLAUSOTFLGSTE-UHFFFAOYSA-N
Mol Weight 313.75 g/mol
Molecular Formula C16H15ClF3N
Exact Mass 313.084512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgoosRXL2LU
Name N-(3-(2-Chloro-3-(trifluoromethyl)phenyl)propyl)aniline
Appearance Yellow oil
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Formula C16H15ClF3N
InChI InChI=1S/C16H15ClF3N/c17-15-12(6-4-10-14(15)16(18,19)20)7-5-11-21-13-8-2-1-3-9-13/h1-4,6,8-10,21H,5,7,11H2
InChIKey LRLAUSOTFLGSTE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001337
Molecular Weight 313.751 g/mol
Reported Formula C16H15ClF3N
SMILES N(CCCc1c(Cl)c(ccc1)C(F)(F)F)c1ccccc1
SPLASH splash10-0a4i-1901000000-f3629bdadeb808225f2b
Source of Spectrum U1-2020-7009-48b
Thin-Layer Chromatography Rf = 0.10 (SiO2, PE/EtOAc, 20:1)
Wiley ID 1861051