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5-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID IXUxL8bcaRI
InChI InChI=1S/C23H23BrN2O5S/c1-4-29-19-12-15(10-17-21(27)25-23(32)26-22(17)28)11-18(24)20(19)31-8-7-30-16-6-5-13(2)14(3)9-16/h5-6,9-12H,4,7-8H2,1-3H3,(H2,25,26,27,28,32)
InChIKey HEKZRIXWCSZYDW-UHFFFAOYSA-N
Mol Weight 519.41 g/mol
Molecular Formula C23H23BrN2O5S
Exact Mass 518.051106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWmsDCRqtPZ
Name 5-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23BrN2O5S
InChI InChI=1S/C23H23BrN2O5S/c1-4-29-19-12-15(10-17-21(27)25-23(32)26-22(17)28)11-18(24)20(19)31-8-7-30-16-6-5-13(2)14(3)9-16/h5-6,9-12H,4,7-8H2,1-3H3,(H2,25,26,27,28,32)
InChIKey HEKZRIXWCSZYDW-UHFFFAOYSA-N
Molecular Weight 519.410 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OCC)OCCOc1cc(C)c(cc1)C)=O)=S
SPLASH splash10-0007-0209000000-e86b1718d0d277b9bdb7
Synonyms 5-[[3-bromanyl-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1437165