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5-[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID DfPi1JTRpMP
InChI InChI=1S/C22H21BrN2O5S/c1-3-28-18-12-14(10-15-20(26)24-22(31)25-21(15)27)11-16(23)19(18)30-9-8-29-17-7-5-4-6-13(17)2/h4-7,10-12H,3,8-9H2,1-2H3,(H2,24,25,26,27,31)
InChIKey LDIAHJGQBINDSH-UHFFFAOYSA-N
Mol Weight 505.38 g/mol
Molecular Formula C22H21BrN2O5S
Exact Mass 504.035456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjPaG9WYMNv
Name 5-[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-bromanyl-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C22H21BrN2O5S
InChI InChI=1S/C22H21BrN2O5S/c1-3-28-18-12-14(10-15-20(26)24-22(31)25-21(15)27)11-16(23)19(18)30-9-8-29-17-7-5-4-6-13(17)2/h4-7,10-12H,3,8-9H2,1-2H3,(H2,24,25,26,27,31)
InChIKey LDIAHJGQBINDSH-UHFFFAOYSA-N
Molecular Weight 505.383 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OCC)OCCOc1c(C)cccc1)=O)=S
SPLASH splash10-004i-1200900000-4eb16560907d3748012d
Wiley ID 1437166