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(2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(5-iodothien-2-yl)prop-2-en-1-one
SpectraBase Compound ID B413hO0wzBP
InChI InChI=1S/C17H11ClINO2S/c1-22-12-3-4-13-11(9-12)8-10(17(18)20-13)2-5-14(21)15-6-7-16(19)23-15/h2-9H,1H3/b5-2+
InChIKey ZUKQJKXTWZXFDA-GORDUTHDSA-N
Mol Weight 455.7 g/mol
Molecular Formula C17H11ClINO2S
Exact Mass 454.924372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETdUNlNF9Mm
Name (2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(5-iodothien-2-yl)prop-2-en-1-one
Alternate Name(s) (E)-3-(2-chloro-6-methoxy-3-quinolinyl)-1-(5-iodo-2-thiophenyl)-2-propen-1-one (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-(5-iodothiophen-2-yl)prop-2-en-1-one (E)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-1-(5-iodanylthiophen-2-yl)prop-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H11ClINO2S
InChI InChI=1S/C17H11ClINO2S/c1-22-12-3-4-13-11(9-12)8-10(17(18)20-13)2-5-14(21)15-6-7-16(19)23-15/h2-9H,1H3/b5-2+
InChIKey ZUKQJKXTWZXFDA-GORDUTHDSA-N
Molecular Weight 455.697 g/mol
SMILES c1(nc2c(cc1\C=C\C(c1sc(I)cc1)=O)cc(cc2)OC)Cl
SPLASH splash10-000i-0090100000-72627ad94db30947c11b
Source of Spectrum E1-58-305-2k
Wiley ID 1661805