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3-((1E,4E)-5-(4-Chlorophenyl)-3-oxopenta-1,4-dien-1-yl)-8-methylquinolin-2(1H)-one
SpectraBase Compound ID 5phQ3DLYa5D
InChI InChI=1S/C21H16ClNO2/c1-14-3-2-4-16-13-17(21(25)23-20(14)16)8-12-19(24)11-7-15-5-9-18(22)10-6-15/h2-13H,1H3,(H,23,25)/b11-7+,12-8+
InChIKey HZZBXQZXMYCZIM-MKICQXMISA-N
Mol Weight 349.82 g/mol
Molecular Formula C21H16ClNO2
Exact Mass 349.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUNx8vzFY1
Name 3-((1E,4E)-5-(4-Chlorophenyl)-3-oxopenta-1,4-dien-1-yl)-8-methylquinolin-2(1H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClNO2
InChI InChI=1S/C21H16ClNO2/c1-14-3-2-4-16-13-17(21(25)23-20(14)16)8-12-19(24)11-7-15-5-9-18(22)10-6-15/h2-13H,1H3,(H,23,25)/b11-7+,12-8+
InChIKey HZZBXQZXMYCZIM-MKICQXMISA-N
Instrument Name SHIMADZU GCMS 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100094
Molecular Weight 349.817 g/mol
SMILES N1C(C(=Cc2c1c(ccc2)C)\C=C\C(\C=C\c1ccc(cc1)Cl)=O)=O
SPLASH splash10-001j-0904000000-a1f0ee75799de56451b3
Source of Spectrum APC-354-16-17e
Wiley ID 1851435