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2-[2-(4-chloro-phenyl)-2-oxo-ethoxy]-6-[2-(4-chloro-phenyl)-2-oxo-ethylsulfanyl]-5-cyanO-nicotinic acid ethyl ester
SpectraBase Compound ID BXwHuGYSqqI
InChI InChI=1S/C25H18Cl2N2O5S/c1-2-33-25(32)20-11-17(12-28)24(35-14-22(31)16-5-9-19(27)10-6-16)29-23(20)34-13-21(30)15-3-7-18(26)8-4-15/h3-11H,2,13-14H2,1H3
InChIKey IIULDGFRGKGRKM-UHFFFAOYSA-N
Mol Weight 529.39 g/mol
Molecular Formula C25H18Cl2N2O5S
Exact Mass 528.031348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPXBb9QUoY5
Name 2-[2-(4-chloro-phenyl)-2-oxo-ethoxy]-6-[2-(4-chloro-phenyl)-2-oxo-ethylsulfanyl]-5-cyanO-nicotinic acid ethyl ester
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Formula C25H18Cl2N2O5S
InChI InChI=1S/C25H18Cl2N2O5S/c1-2-33-25(32)20-11-17(12-28)24(35-14-22(31)16-5-9-19(27)10-6-16)29-23(20)34-13-21(30)15-3-7-18(26)8-4-15/h3-11H,2,13-14H2,1H3
InChIKey IIULDGFRGKGRKM-UHFFFAOYSA-N
Molecular Weight 529.394 g/mol
SMILES c1(c(nc(c(c1)C#N)SCC(c1ccc(cc1)Cl)=O)OCC(c1ccc(cc1)Cl)=O)C(=O)OCC
SPLASH splash10-000i-1900000000-cd00d3ab329ec7237766
Synonyms Ethyl 2-[2-(4-chlorophenyl)-2-oxoethoxy]-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyanonicotinate
Wiley ID 1460731