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(5E)-5-[5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzylidene]-1-(4-methoxyphenyl)barbituric acid
SpectraBase Compound ID JgHLdswnL7Y
InChI InChI=1S/C27H23ClN2O6/c1-17-3-8-22(9-4-17)35-13-14-36-24-12-5-19(28)15-18(24)16-23-25(31)29-27(33)30(26(23)32)20-6-10-21(34-2)11-7-20/h3-12,15-16H,13-14H2,1-2H3,(H,29,31,33)/b23-16+
InChIKey CBYAJYMEXDICCB-XQNSMLJCSA-N
Mol Weight 506.94 g/mol
Molecular Formula C27H23ClN2O6
Exact Mass 506.124464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29N9OjO9m0A
Name (5E)-5-[5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzylidene]-1-(4-methoxyphenyl)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23ClN2O6
InChI InChI=1S/C27H23ClN2O6/c1-17-3-8-22(9-4-17)35-13-14-36-24-12-5-19(28)15-18(24)16-23-25(31)29-27(33)30(26(23)32)20-6-10-21(34-2)11-7-20/h3-12,15-16H,13-14H2,1-2H3,(H,29,31,33)/b23-16+
InChIKey CBYAJYMEXDICCB-XQNSMLJCSA-N
Molecular Weight 506.942 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)OC)=O)=C\c1c(ccc(c1)Cl)OCCOc1ccc(cc1)C)=O
SPLASH splash10-0a4i-3809030000-9153b0e7c41601946e93
Synonyms (5E)-5-[[5-chloranyl-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (5E)-5-[[5-chloro-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[[5-chloro-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Wiley ID 1436576