For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1E,4E)-1-(2-Butoxy-7-chloroquinolin-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
SpectraBase Compound ID 2CS9dgE2HLQ
InChI InChI=1S/C25H24ClNO4/c1-3-4-13-31-25-19(15-18-7-9-20(26)16-22(18)27-25)8-11-21(28)10-5-17-6-12-23(29)24(14-17)30-2/h5-12,14-16,29H,3-4,13H2,1-2H3/b10-5+,11-8+
InChIKey SSXMRNBOSWCJIY-TVNUJMIRSA-N
Mol Weight 437.92 g/mol
Molecular Formula C25H24ClNO4
Exact Mass 437.139386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3Nhql0i8RM
Name (1E,4E)-1-(2-Butoxy-7-chloroquinolin-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24ClNO4
InChI InChI=1S/C25H24ClNO4/c1-3-4-13-31-25-19(15-18-7-9-20(26)16-22(18)27-25)8-11-21(28)10-5-17-6-12-23(29)24(14-17)30-2/h5-12,14-16,29H,3-4,13H2,1-2H3/b10-5+,11-8+
InChIKey SSXMRNBOSWCJIY-TVNUJMIRSA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 437.923 g/mol
SMILES Oc1c(cc(cc1)\C=C\C(\C=C\c1cc2c(nc1OCCCC)cc(cc2)Cl)=O)OC
SPLASH splash10-052f-9000000000-69d482dd8abf924aa5b8
Source of Spectrum APC-354-17-17l
Wiley ID 1851440