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5-[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID KdgHOpZhdfH
InChI InChI=1S/C24H25BrN2O5S/c1-24(2,3)15-5-7-16(8-6-15)31-9-10-32-20-18(25)12-14(13-19(20)30-4)11-17-21(28)26-23(33)27-22(17)29/h5-8,11-13H,9-10H2,1-4H3,(H2,26,27,28,29,33)
InChIKey XRINARHYKWUPSK-UHFFFAOYSA-N
Mol Weight 533.44 g/mol
Molecular Formula C24H25BrN2O5S
Exact Mass 532.066756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnKwhYW7DDX
Name 5-[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25BrN2O5S
InChI InChI=1S/C24H25BrN2O5S/c1-24(2,3)15-5-7-16(8-6-15)31-9-10-32-20-18(25)12-14(13-19(20)30-4)11-17-21(28)26-23(33)27-22(17)29/h5-8,11-13H,9-10H2,1-4H3,(H2,26,27,28,29,33)
InChIKey XRINARHYKWUPSK-UHFFFAOYSA-N
Molecular Weight 533.437 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OC)OCCOc1ccc(C(C)(C)C)cc1)=O)=S
SPLASH splash10-0159-1410090000-8d7b060b251714c3d0f5
Synonyms 5-[[3-bromanyl-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxy-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1436559