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(1E,4E)-1-(Benzo[d][1,3]dioxol-5-yl)-5-(2-butoxy-6-chloroquinolin-3-yl)penta-1,4-dien-3-one
SpectraBase Compound ID A0ZgfxnK5Nb
InChI InChI=1S/C25H22ClNO4/c1-2-3-12-29-25-18(14-19-15-20(26)7-10-22(19)27-25)6-9-21(28)8-4-17-5-11-23-24(13-17)31-16-30-23/h4-11,13-15H,2-3,12,16H2,1H3/b8-4+,9-6+
InChIKey KFNZNWOIVBCSCF-HNJDCKIISA-N
Mol Weight 435.91 g/mol
Molecular Formula C25H22ClNO4
Exact Mass 435.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8LMkM5YPnP
Name (1E,4E)-1-(Benzo[d][1,3]dioxol-5-yl)-5-(2-butoxy-6-chloroquinolin-3-yl)penta-1,4-dien-3-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22ClNO4
InChI InChI=1S/C25H22ClNO4/c1-2-3-12-29-25-18(14-19-15-20(26)7-10-22(19)27-25)6-9-21(28)8-4-17-5-11-23-24(13-17)31-16-30-23/h4-11,13-15H,2-3,12,16H2,1H3/b8-4+,9-6+
InChIKey KFNZNWOIVBCSCF-HNJDCKIISA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 435.907 g/mol
SMILES c12c(cc(cc2)\C=C\C(\C=C\c2cc3c(nc2OCCCC)ccc(c3)Cl)=O)OCO1
SPLASH splash10-0ug0-2492200000-419bca0ed4a7c025f189
Source of Spectrum APC-354-18-17t
Wiley ID 1851448