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Ethyl 6-(4-methylphenyl)-3-(2,4-dinitrophenylhydrazono)-4,6-dioxohexanoate
SpectraBase Compound ID 75TNjOHW81C
InChI InChI=1S/C21H20N4O8/c1-3-33-21(28)11-17(20(27)12-19(26)14-6-4-13(2)5-7-14)23-22-16-9-8-15(24(29)30)10-18(16)25(31)32/h4-10,22H,3,11-12H2,1-2H3/b23-17+
InChIKey DAIUIZWVPBDOKJ-HAVVHWLPSA-N
Mol Weight 456.41 g/mol
Molecular Formula C21H20N4O8
Exact Mass 456.128114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9fJDwwcWXs
Name Ethyl 6-(4-methylphenyl)-3-(2,4-dinitrophenylhydrazono)-4,6-dioxohexanoate
Alternate Name(s) Ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazono]-6-(4-methylphenyl)-4,6-dioxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O8
InChI InChI=1S/C21H20N4O8/c1-3-33-21(28)11-17(20(27)12-19(26)14-6-4-13(2)5-7-14)23-22-16-9-8-15(24(29)30)10-18(16)25(31)32/h4-10,22H,3,11-12H2,1-2H3/b23-17+
InChIKey DAIUIZWVPBDOKJ-HAVVHWLPSA-N
Molecular Weight 456.411 g/mol
SMILES N(\N=C/(CC(=O)OCC)C(CC(c1ccc(cc1)C)=O)=O)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-03xu-9740000000-b51ad589eaf90b850abe
Source of Spectrum O1-29-1899-5
Wiley ID 818489