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(1E,4E)-1-(Benzo[d][1,3]dioxol-5-yl)-5-(2-butoxy-6-methylquinolin-3-yl)penta-1,4-dien-3-one
SpectraBase Compound ID 5NJ1mhoVw8T
InChI InChI=1S/C26H25NO4/c1-3-4-13-29-26-20(16-21-14-18(2)5-11-23(21)27-26)8-10-22(28)9-6-19-7-12-24-25(15-19)31-17-30-24/h5-12,14-16H,3-4,13,17H2,1-2H3/b9-6+,10-8+
InChIKey KLNRAENJCFNBEU-OAMUUVBCSA-N
Mol Weight 415.49 g/mol
Molecular Formula C26H25NO4
Exact Mass 415.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEHGWJuEGj0
Name (1E,4E)-1-(Benzo[d][1,3]dioxol-5-yl)-5-(2-butoxy-6-methylquinolin-3-yl)penta-1,4-dien-3-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO4
InChI InChI=1S/C26H25NO4/c1-3-4-13-29-26-20(16-21-14-18(2)5-11-23(21)27-26)8-10-22(28)9-6-19-7-12-24-25(15-19)31-17-30-24/h5-12,14-16H,3-4,13,17H2,1-2H3/b9-6+,10-8+
InChIKey KLNRAENJCFNBEU-OAMUUVBCSA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 415.489 g/mol
SMILES c12OCOc2cc(\C=C\C(=O)\C=C\c2c(OCCCC)nc3ccc(C)cc3c2)cc1
SPLASH splash10-001i-2900100000-1b6eff53a225dc63437b
Source of Spectrum APC-354-18-17w
Wiley ID 1851451