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(E)-3-(4-chlorophenyl)-1-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)prop-2-en-1-one
SpectraBase Compound ID 3vo11r06Gs4
InChI InChI=1S/C18H13ClN2O3/c1-12-18(17(22)11-8-13-6-9-14(19)10-7-13)21(24)16-5-3-2-4-15(16)20(12)23/h2-11H,1H3/b11-8+
InChIKey XQRHRCCAMVVIAN-DHZHZOJOSA-N
Mol Weight 340.77 g/mol
Molecular Formula C18H13ClN2O3
Exact Mass 340.06147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhFlHbYU1ff
Name (E)-3-(4-chlorophenyl)-1-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)prop-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H13ClN2O3
InChI InChI=1S/C18H13ClN2O3/c1-12-18(17(22)11-8-13-6-9-14(19)10-7-13)21(24)16-5-3-2-4-15(16)20(12)23/h2-11H,1H3/b11-8+
InChIKey XQRHRCCAMVVIAN-DHZHZOJOSA-N
Molecular Weight 340.766 g/mol
SMILES c1([n+](c2c([n+](c1C)[O-])cccc2)[O-])C(\C=C\c1ccc(cc1)Cl)=O
SPLASH splash10-002f-0009000000-624b1068d499ee6ea8a4
Source of Spectrum AH-126-1221-3
Synonyms (E)-3-(4-chlorophenyl)-1-(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)prop-2-en-1-one (E)-3-(4-chlorophenyl)-1-(3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-2-propen-1-one (E)-3-(4-chlorophenyl)-1-(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)prop-2-en-1-one
Wiley ID 1335032