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(5Z)-5-[4-(2-bromoethoxy)-3-methoxy-benzylidene]-1-(p-tolyl)barbituric acid
SpectraBase Compound ID 3RFM6ALajoj
InChI InChI=1S/C21H19BrN2O5/c1-13-3-6-15(7-4-13)24-20(26)16(19(25)23-21(24)27)11-14-5-8-17(29-10-9-22)18(12-14)28-2/h3-8,11-12H,9-10H2,1-2H3,(H,23,25,27)/b16-11-
InChIKey BMLYFEUMIRRFQG-WJDWOHSUSA-N
Mol Weight 459.3 g/mol
Molecular Formula C21H19BrN2O5
Exact Mass 458.047735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoKWKHwMOg6
Name (5Z)-5-[4-(2-bromoethoxy)-3-methoxy-benzylidene]-1-(p-tolyl)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19BrN2O5
InChI InChI=1S/C21H19BrN2O5/c1-13-3-6-15(7-4-13)24-20(26)16(19(25)23-21(24)27)11-14-5-8-17(29-10-9-22)18(12-14)28-2/h3-8,11-12H,9-10H2,1-2H3,(H,23,25,27)/b16-11-
InChIKey BMLYFEUMIRRFQG-WJDWOHSUSA-N
Molecular Weight 459.296 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)C)=O)=C/c1cc(OC)c(cc1)OCCBr)=O
SPLASH splash10-0a4i-4900000000-9f3059766c872737c411
Synonyms (5Z)-5-[[4-(2-bromoethoxy)-3-methoxy-phenyl]methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-[[4-(2-bromoethoxy)-3-methoxyphenyl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione (5Z)-5-[[4-(2-bromoethyloxy)-3-methoxy-phenyl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Wiley ID 1448133