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N-(3-(2-Chloro-3-methoxyphenyl)propyl)aniline
SpectraBase Compound ID IIguJsSDb5G
InChI InChI=1S/C16H18ClNO/c1-19-15-11-5-7-13(16(15)17)8-6-12-18-14-9-3-2-4-10-14/h2-5,7,9-11,18H,6,8,12H2,1H3
InChIKey XJFSVJBRANGZFJ-UHFFFAOYSA-N
Mol Weight 275.78 g/mol
Molecular Formula C16H18ClNO
Exact Mass 275.107692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxtP8M5A6tU
Name N-(3-(2-Chloro-3-methoxyphenyl)propyl)aniline
Appearance Slightly yellow oil
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Formula C16H18ClNO
InChI InChI=1S/C16H18ClNO/c1-19-15-11-5-7-13(16(15)17)8-6-12-18-14-9-3-2-4-10-14/h2-5,7,9-11,18H,6,8,12H2,1H3
InChIKey XJFSVJBRANGZFJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001337
Molecular Weight 275.779 g/mol
Reported Formula C16H18ClNO
SMILES N(CCCc1cccc(c1Cl)OC)c1ccccc1
SPLASH splash10-0a4i-1930000000-8af425cd7335e4e1cd87
Source of Spectrum U1-2020-7009-47b
Thin-Layer Chromatography Rf = 0.07 (SiO2, PE/EtOAc, 30:1)
Wiley ID 1861049