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(5E)-5-[2-(2-bromoethoxy)benzylidene]-1-(4-methoxyphenyl)barbituric acid
SpectraBase Compound ID 654Rzuo4Wfl
InChI InChI=1S/C20H17BrN2O5/c1-27-15-8-6-14(7-9-15)23-19(25)16(18(24)22-20(23)26)12-13-4-2-3-5-17(13)28-11-10-21/h2-9,12H,10-11H2,1H3,(H,22,24,26)/b16-12+
InChIKey MGINZJJKKWEQLK-FOWTUZBSSA-N
Mol Weight 445.27 g/mol
Molecular Formula C20H17BrN2O5
Exact Mass 444.032085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmdmJfmjFo4
Name (5E)-5-[2-(2-bromoethoxy)benzylidene]-1-(4-methoxyphenyl)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN2O5
InChI InChI=1S/C20H17BrN2O5/c1-27-15-8-6-14(7-9-15)23-19(25)16(18(24)22-20(23)26)12-13-4-2-3-5-17(13)28-11-10-21/h2-9,12H,10-11H2,1H3,(H,22,24,26)/b16-12+
InChIKey MGINZJJKKWEQLK-FOWTUZBSSA-N
Molecular Weight 445.269 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)OC)=O)=C\c1c(OCCBr)cccc1)=O
SPLASH splash10-006t-1901000000-09c87c1c59f15f8a48a1
Synonyms (5E)-5-[[2-(2-bromoethoxy)phenyl]methylene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[[2-(2-bromoethoxy)phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (5E)-5-[[2-(2-bromoethyloxy)phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Wiley ID 1437189