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(1E,4E)-1-(2-Butoxy-6-chloroquinolin-3-yl)-5-(4-chlorophenyl)penta-1,4-dien-3-one
SpectraBase Compound ID IUYvt0OETHO
InChI InChI=1S/C24H21Cl2NO2/c1-2-3-14-29-24-18(15-19-16-21(26)10-13-23(19)27-24)7-12-22(28)11-6-17-4-8-20(25)9-5-17/h4-13,15-16H,2-3,14H2,1H3/b11-6+,12-7+
InChIKey PESGVXYSOKJDQE-GNXRPPCSSA-N
Mol Weight 426.34 g/mol
Molecular Formula C24H21Cl2NO2
Exact Mass 425.094934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPQqhUf2WgX
Name (1E,4E)-1-(2-Butoxy-6-chloroquinolin-3-yl)-5-(4-chlorophenyl)penta-1,4-dien-3-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21Cl2NO2
InChI InChI=1S/C24H21Cl2NO2/c1-2-3-14-29-24-18(15-19-16-21(26)10-13-23(19)27-24)7-12-22(28)11-6-17-4-8-20(25)9-5-17/h4-13,15-16H,2-3,14H2,1H3/b11-6+,12-7+
InChIKey PESGVXYSOKJDQE-GNXRPPCSSA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 426.343 g/mol
SMILES c1(ccc(cc1)\C=C\C(\C=C\c1cc2c(nc1OCCCC)ccc(c2)Cl)=O)Cl
SPLASH splash10-0uxr-8960000000-cc6229b4fd82fb7f5eff
Source of Spectrum APC-354-18-17u
Wiley ID 1851449