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N-(1,5-Bis(2-chlorophenyl)pentan-3-yl)-4-fluoroaniline
SpectraBase Compound ID KRcrvRL7TWs
InChI InChI=1S/C23H22Cl2FN/c24-22-7-3-1-5-17(22)9-13-20(27-21-15-11-19(26)12-16-21)14-10-18-6-2-4-8-23(18)25/h1-8,11-12,15-16,20,27H,9-10,13-14H2
InChIKey OCUNXCDQKMHHAW-UHFFFAOYSA-N
Mol Weight 402.34 g/mol
Molecular Formula C23H22Cl2FN
Exact Mass 401.111333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJejP5el0NI
Name N-(1,5-Bis(2-chlorophenyl)pentan-3-yl)-4-fluoroaniline
Appearance Slightly yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Cl2FN
InChI InChI=1S/C23H22Cl2FN/c24-22-7-3-1-5-17(22)9-13-20(27-21-15-11-19(26)12-16-21)14-10-18-6-2-4-8-23(18)25/h1-8,11-12,15-16,20,27H,9-10,13-14H2
InChIKey OCUNXCDQKMHHAW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001337
Molecular Weight 402.340 g/mol
Reported Formula C23H22Cl2FN
SMILES N(C(CCc1c(Cl)cccc1)CCc1c(cccc1)Cl)c1ccc(cc1)F
SPLASH splash10-03fr-0590000000-fa58bde675500f698a96
Source of Spectrum U1-2020-7007-31c
Thin-Layer Chromatography Rf = 0.33 (SiO2, PE/EtOAc, 30:1)
Wiley ID 1861035