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1-Benzyl-7-chloro-3-((1E,4E)-5-(4-hydroxy-3-methoxyphenyl)-3-oxopenta-1,4-dien-1-yl)quinolin-2(1H)-one
SpectraBase Compound ID BtkEOVUjRbo
InChI InChI=1S/C28H22ClNO4/c1-34-27-15-19(8-14-26(27)32)7-12-24(31)13-10-22-16-21-9-11-23(29)17-25(21)30(28(22)33)18-20-5-3-2-4-6-20/h2-17,32H,18H2,1H3/b12-7+,13-10+
InChIKey KZNVFMDHUUFEQT-IZENVRNYSA-N
Mol Weight 471.94 g/mol
Molecular Formula C28H22ClNO4
Exact Mass 471.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n7P1lQ8lIG
Name 1-Benzyl-7-chloro-3-((1E,4E)-5-(4-hydroxy-3-methoxyphenyl)-3-oxopenta-1,4-dien-1-yl)quinolin-2(1H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22ClNO4
InChI InChI=1S/C28H22ClNO4/c1-34-27-15-19(8-14-26(27)32)7-12-24(31)13-10-22-16-21-9-11-23(29)17-25(21)30(28(22)33)18-20-5-3-2-4-6-20/h2-17,32H,18H2,1H3/b12-7+,13-10+
InChIKey KZNVFMDHUUFEQT-IZENVRNYSA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 471.940 g/mol
SMILES Oc1c(cc(cc1)\C=C\C(\C=C\C1=Cc2c(N(C1=O)Cc1ccccc1)cc(cc2)Cl)=O)OC
SPLASH splash10-0006-9000000000-d1f21c8194b203931cac
Source of Spectrum APC-354-17-17o
Wiley ID 1851443