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N-(3,3-dichloro-1-(4-methoxyphenyl)propyl)-4-fluoroaniline
SpectraBase Compound ID IbShEDaqeLa
InChI InChI=1S/C16H16Cl2FNO/c1-21-14-8-2-11(3-9-14)15(10-16(17)18)20-13-6-4-12(19)5-7-13/h2-9,15-16,20H,10H2,1H3
InChIKey YCINLMBDUOZHEL-UHFFFAOYSA-N
Mol Weight 328.21 g/mol
Molecular Formula C16H16Cl2FNO
Exact Mass 327.059298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8lAYzLt48g
Name N-(3,3-dichloro-1-(4-methoxyphenyl)propyl)-4-fluoroaniline
Appearance Orange oil
Carrier Gas Nitrogen
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Exact Mass 327.059297701 u
Formula C16H16Cl2FNO
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C16H16Cl2FNO/c1-21-14-8-2-11(3-9-14)15(10-16(17)18)20-13-6-4-12(19)5-7-13/h2-9,15-16,20H,10H2,1H3
InChIKey YCINLMBDUOZHEL-UHFFFAOYSA-N
Instrument Name Shimadzu 2014
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203079
Molecular Weight 328.214 g/mol
Quality 94
Reported Formula C16H16Cl2FNO
SMILES N(C(CC(Cl)Cl)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)F
SPLASH splash10-067i-0492000000-3605a2977a1d0975078d
Source of Spectrum QE-29-SM3-4g (DOI: 10.1002/chem.202203079)
Wiley ID 1909399