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(5Z)-5-[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene]-1-(4-methoxyphenyl)barbituric acid
SpectraBase Compound ID 5OWVMw1YAPl
InChI InChI=1S/C29H27BrN2O7/c1-4-37-25-17-19(16-23(30)26(25)39-14-13-38-24-8-6-5-7-18(24)2)15-22-27(33)31-29(35)32(28(22)34)20-9-11-21(36-3)12-10-20/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,33,35)/b22-15-
InChIKey OEMKCTLTUIQMCS-JCMHNJIXSA-N
Mol Weight 595.45 g/mol
Molecular Formula C29H27BrN2O7
Exact Mass 594.100164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABIA0G80zk
Name (5Z)-5-[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene]-1-(4-methoxyphenyl)barbituric acid
Alternate Name(s) (5Z)-5-[[3-bromanyl-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (5Z)-5-[[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
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Formula C29H27BrN2O7
InChI InChI=1S/C29H27BrN2O7/c1-4-37-25-17-19(16-23(30)26(25)39-14-13-38-24-8-6-5-7-18(24)2)15-22-27(33)31-29(35)32(28(22)34)20-9-11-21(36-3)12-10-20/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,33,35)/b22-15-
InChIKey OEMKCTLTUIQMCS-JCMHNJIXSA-N
Molecular Weight 595.446 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)OC)=O)=C/c1cc(Br)c(c(c1)OCC)OCCOc1c(C)cccc1)=O
SPLASH splash10-001d-3900230000-1bc8cff563a9d6d63bfa
Wiley ID 1436540