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5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID BkpNDJs0syh
InChI InChI=1S/C20H17ClN2O5S/c1-26-16-11-12(9-14-18(24)22-20(29)23-19(14)25)10-15(21)17(16)28-8-7-27-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,23,24,25,29)
InChIKey HOQOTDINFBARRX-UHFFFAOYSA-N
Mol Weight 432.88 g/mol
Molecular Formula C20H17ClN2O5S
Exact Mass 432.054671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4in1GiAbavg
Name 5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-chloranyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C20H17ClN2O5S
InChI InChI=1S/C20H17ClN2O5S/c1-26-16-11-12(9-14-18(24)22-20(29)23-19(14)25)10-15(21)17(16)28-8-7-27-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,23,24,25,29)
InChIKey HOQOTDINFBARRX-UHFFFAOYSA-N
Molecular Weight 432.878 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Cl)c(c(c1)OC)OCCOc1ccccc1)=O)=S
SPLASH splash10-0089-9702700000-5e1cf77df00d05033032
Wiley ID 1436583