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(1E,4E)-1-(2-Butoxy-6-chloroquinolin-3-yl)-5-(4-methoxyphenyl)-penta-1,4-dien-3-one
SpectraBase Compound ID 4WvWxxpcfJ3
InChI InChI=1S/C25H24ClNO3/c1-3-4-15-30-25-19(16-20-17-21(26)9-14-24(20)27-25)8-11-22(28)10-5-18-6-12-23(29-2)13-7-18/h5-14,16-17H,3-4,15H2,1-2H3/b10-5+,11-8+
InChIKey VJOKHDGJXXQKCU-TVNUJMIRSA-N
Mol Weight 421.92 g/mol
Molecular Formula C25H24ClNO3
Exact Mass 421.144471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9GQGMtFtD1
Name (1E,4E)-1-(2-Butoxy-6-chloroquinolin-3-yl)-5-(4-methoxyphenyl)-penta-1,4-dien-3-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24ClNO3
InChI InChI=1S/C25H24ClNO3/c1-3-4-15-30-25-19(16-20-17-21(26)9-14-24(20)27-25)8-11-22(28)10-5-18-6-12-23(29-2)13-7-18/h5-14,16-17H,3-4,15H2,1-2H3/b10-5+,11-8+
InChIKey VJOKHDGJXXQKCU-TVNUJMIRSA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 421.924 g/mol
SMILES c1(ccc(cc1)\C=C\C(\C=C\c1cc2c(nc1OCCCC)ccc(c2)Cl)=O)OC
SPLASH splash10-0h2f-9642300000-f227386e5c8ef8999f53
Source of Spectrum APC-354-18-17v
Wiley ID 1851450