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(2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one
SpectraBase Compound ID Ed2nnVwR8Oo
InChI InChI=1S/C17H10Cl3NO2S/c1-23-11-3-4-13-10(7-11)6-9(16(19)21-13)2-5-14(22)12-8-15(18)24-17(12)20/h2-8H,1H3/b5-2+
InChIKey UJFBWWMJRPXFHU-GORDUTHDSA-N
Mol Weight 398.69 g/mol
Molecular Formula C17H10Cl3NO2S
Exact Mass 396.949783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrfGjK6VxqN
Name (2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one
Alternate Name(s) (E)-3-(2-chloro-6-methoxy-3-quinolinyl)-1-(2,5-dichloro-3-thiophenyl)-2-propen-1-one (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one (E)-1-[2,5-bis(chloranyl)thiophen-3-yl]-3-(2-chloranyl-6-methoxy-quinolin-3-yl)prop-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10Cl3NO2S
InChI InChI=1S/C17H10Cl3NO2S/c1-23-11-3-4-13-10(7-11)6-9(16(19)21-13)2-5-14(22)12-8-15(18)24-17(12)20/h2-8H,1H3/b5-2+
InChIKey UJFBWWMJRPXFHU-GORDUTHDSA-N
Molecular Weight 398.691 g/mol
SMILES c1(c(sc(c1)Cl)Cl)C(\C=C\c1c(nc2c(c1)cc(cc2)OC)Cl)=O
SPLASH splash10-03di-0009000000-cd2b9e0733881870e3a7
Source of Spectrum E1-58-305-2h
Wiley ID 1661816