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(5Z)-5-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-benzylidene]-1-(m-tolyl)barbituric acid
SpectraBase Compound ID LbsfXXy3JtX
InChI InChI=1S/C29H27BrN2O6/c1-17-6-5-7-21(12-17)32-28(34)23(27(33)31-29(32)35)14-20-15-24(30)26(25(16-20)36-4)38-11-10-37-22-9-8-18(2)19(3)13-22/h5-9,12-16H,10-11H2,1-4H3,(H,31,33,35)/b23-14-
InChIKey ZMTAPQYDHUHGOD-UCQKPKSFSA-N
Mol Weight 579.45 g/mol
Molecular Formula C29H27BrN2O6
Exact Mass 578.10525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 256Yc5ytRhD
Name (5Z)-5-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-benzylidene]-1-(m-tolyl)barbituric acid
Alternate Name(s) (5Z)-5-[[3-bromanyl-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione (5Z)-5-[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxy-phenyl]methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
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Formula C29H27BrN2O6
InChI InChI=1S/C29H27BrN2O6/c1-17-6-5-7-21(12-17)32-28(34)23(27(33)31-29(32)35)14-20-15-24(30)26(25(16-20)36-4)38-11-10-37-22-9-8-18(2)19(3)13-22/h5-9,12-16H,10-11H2,1-4H3,(H,31,33,35)/b23-14-
InChIKey ZMTAPQYDHUHGOD-UCQKPKSFSA-N
Molecular Weight 579.447 g/mol
SMILES N1C(\C(C(N(C1=O)c1cc(C)ccc1)=O)=C/c1cc(Br)c(c(c1)OC)OCCOc1cc(C)c(cc1)C)=O
SPLASH splash10-001j-2900020000-f3b3c833e7c3551ff72a
Wiley ID 1436552