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(2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(3-bromothien-2-yl)prop-2-en-1-one
SpectraBase Compound ID 8Yr5ltA6voO
InChI InChI=1S/C17H11BrClNO2S/c1-22-12-3-4-14-11(9-12)8-10(17(19)20-14)2-5-15(21)16-13(18)6-7-23-16/h2-9H,1H3/b5-2+
InChIKey XFUVJPSXWZUAGV-GORDUTHDSA-N
Mol Weight 408.7 g/mol
Molecular Formula C17H11BrClNO2S
Exact Mass 406.93824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1SFflVwjpv
Name (2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(3-bromothien-2-yl)prop-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H11BrClNO2S
InChI InChI=1S/C17H11BrClNO2S/c1-22-12-3-4-14-11(9-12)8-10(17(19)20-14)2-5-15(21)16-13(18)6-7-23-16/h2-9H,1H3/b5-2+
InChIKey XFUVJPSXWZUAGV-GORDUTHDSA-N
Molecular Weight 408.697 g/mol
SMILES c1(c(ccs1)Br)C(\C=C\c1c(nc2c(c1)cc(cc2)OC)Cl)=O
SPLASH splash10-00di-0009100000-a8bdc2e9a36c2259a44a
Source of Spectrum E1-58-305-2i
Synonyms (E)-1-(3-bromo-2-thiophenyl)-3-(2-chloro-6-methoxy-3-quinolinyl)-2-propen-1-one (E)-1-(3-bromothiophen-2-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-en-1-one (E)-1-(3-bromanylthiophen-2-yl)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)prop-2-en-1-one
Wiley ID 1661815