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5-[3-bromo-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID BSj7tjGrsca
InChI InChI=1S/C21H19BrN2O6S/c1-27-15-5-3-4-6-16(15)29-7-8-30-18-14(22)10-12(11-17(18)28-2)9-13-19(25)23-21(31)24-20(13)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,31)
InChIKey CRNRHVPWUVIQEC-UHFFFAOYSA-N
Mol Weight 507.36 g/mol
Molecular Formula C21H19BrN2O6S
Exact Mass 506.014721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID v0cxpmrZdW
Name 5-[3-bromo-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-bromanyl-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-bromo-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C21H19BrN2O6S
InChI InChI=1S/C21H19BrN2O6S/c1-27-15-5-3-4-6-16(15)29-7-8-30-18-14(22)10-12(11-17(18)28-2)9-13-19(25)23-21(31)24-20(13)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,31)
InChIKey CRNRHVPWUVIQEC-UHFFFAOYSA-N
Molecular Weight 507.355 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OC)OCCOc1c(OC)cccc1)=O)=S
SPLASH splash10-0kml-5900020000-a1bd82e6184fe2e96fae
Wiley ID 1436557