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3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)bis(1-butylquinolin-2(1H)-one)
SpectraBase Compound ID BXgTaqaWyZH
InChI InChI=1S/C31H32N2O3/c1-3-5-19-32-28-13-9-7-11-23(28)21-25(30(32)35)15-17-27(34)18-16-26-22-24-12-8-10-14-29(24)33(31(26)36)20-6-4-2/h7-18,21-22H,3-6,19-20H2,1-2H3/b17-15+,18-16+
InChIKey XNUQJZDSDWMFJT-YTEMWHBBSA-N
Mol Weight 480.6 g/mol
Molecular Formula C31H32N2O3
Exact Mass 480.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T39iktjQjJ
Name 3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)bis(1-butylquinolin-2(1H)-one)
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32N2O3
InChI InChI=1S/C31H32N2O3/c1-3-5-19-32-28-13-9-7-11-23(28)21-25(30(32)35)15-17-27(34)18-16-26-22-24-12-8-10-14-29(24)33(31(26)36)20-6-4-2/h7-18,21-22H,3-6,19-20H2,1-2H3/b17-15+,18-16+
InChIKey XNUQJZDSDWMFJT-YTEMWHBBSA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 480.608 g/mol
SMILES c1cc2c(cc1)N(C(C(=C2)\C=C\C(\C=C\C1=Cc2c(N(C1=O)CCCC)cccc2)=O)=O)CCCC
SPLASH splash10-000x-2943000000-f946e54ff8aefdb86c89
Source of Spectrum APC-354-13-14g
Wiley ID 1851429