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(5Z)-5-[3-bromo-5-methoxy-4-[2-(4-sec-butylphenoxy)ethoxy]benzylidene]-1-(4-methoxyphenyl)barbituric acid
SpectraBase Compound ID CBFv8XFg68u
InChI InChI=1S/C31H31BrN2O7/c1-5-19(2)21-6-10-24(11-7-21)40-14-15-41-28-26(32)17-20(18-27(28)39-4)16-25-29(35)33-31(37)34(30(25)36)22-8-12-23(38-3)13-9-22/h6-13,16-19H,5,14-15H2,1-4H3,(H,33,35,37)/b25-16-
InChIKey NQDLJLZMYTYHGX-XYGWBWBKSA-N
Mol Weight 623.5 g/mol
Molecular Formula C31H31BrN2O7
Exact Mass 622.131464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 175VHK3cRyQ
Name (5Z)-5-[3-bromo-5-methoxy-4-[2-(4-sec-butylphenoxy)ethoxy]benzylidene]-1-(4-methoxyphenyl)barbituric acid
Alternate Name(s) (5Z)-5-[[3-bromanyl-4-[2-(4-butan-2-ylphenoxy)ethoxy]-5-methoxy-phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (5Z)-5-[[3-bromo-4-[2-(4-butan-2-ylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (5Z)-5-[[3-bromo-5-methoxy-4-[2-(4-sec-butylphenoxy)ethoxy]phenyl]methylene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
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Formula C31H31BrN2O7
InChI InChI=1S/C31H31BrN2O7/c1-5-19(2)21-6-10-24(11-7-21)40-14-15-41-28-26(32)17-20(18-27(28)39-4)16-25-29(35)33-31(37)34(30(25)36)22-8-12-23(38-3)13-9-22/h6-13,16-19H,5,14-15H2,1-4H3,(H,33,35,37)/b25-16-
InChIKey NQDLJLZMYTYHGX-XYGWBWBKSA-N
Molecular Weight 623.500 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)OC)=O)=C/c1cc(Br)c(c(c1)OC)OCCOc1ccc(cc1)C(CC)C)=O
SPLASH splash10-00dj-2910013000-93008e76bd25f34a1934
Wiley ID 1436550