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5-[3,5-dichloro-4-(4-fluorobenzyl)oxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 7XP3C7MwFTq
InChI InChI=1S/C18H11Cl2FN2O3S/c19-13-6-10(5-12-16(24)22-18(27)23-17(12)25)7-14(20)15(13)26-8-9-1-3-11(21)4-2-9/h1-7H,8H2,(H2,22,23,24,25,27)
InChIKey HBAOKWBRQDXTMH-UHFFFAOYSA-N
Mol Weight 425.26 g/mol
Molecular Formula C18H11Cl2FN2O3S
Exact Mass 423.985147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lnVzmKQfbv
Name 5-[3,5-dichloro-4-(4-fluorobenzyl)oxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
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Formula C18H11Cl2FN2O3S
InChI InChI=1S/C18H11Cl2FN2O3S/c19-13-6-10(5-12-16(24)22-18(27)23-17(12)25)7-14(20)15(13)26-8-9-1-3-11(21)4-2-9/h1-7H,8H2,(H2,22,23,24,25,27)
InChIKey HBAOKWBRQDXTMH-UHFFFAOYSA-N
Molecular Weight 425.261 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Cl)c(c(c1)Cl)OCc1ccc(cc1)F)=O)=S
SPLASH splash10-0a4i-2900000000-3256a33fb75b136fc2c4
Synonyms 5-[[3,5-bis(chloranyl)-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1444911