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(E)-2-((E)-4-(4-chlorobenzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)-2-cyano-N-(3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl)acetamide
SpectraBase Compound ID C1VfRdiE9ov
InChI InChI=1S/C31H20ClN5O3S/c1-18-19(2)35-28(23(16-33)27(18)26-9-6-14-40-26)36-29(38)24(17-34)30-37(22-7-4-3-5-8-22)25(31(39)41-30)15-20-10-12-21(32)13-11-20/h3-15H,1-2H3,(H,35,36,38)/b25-15+,30-24+
InChIKey LKPWUIJERRWJOL-IZHSLTDHSA-N
Mol Weight 578.05 g/mol
Molecular Formula C31H20ClN5O3S
Exact Mass 577.097538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcbtQTtMt9X
Name (E)-2-((E)-4-(4-chlorobenzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)-2-cyano-N-(3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl)acetamide
Appearance Yellow crystals
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Formula C31H20ClN5O3S
InChI InChI=1S/C31H20ClN5O3S/c1-18-19(2)35-28(23(16-33)27(18)26-9-6-14-40-26)36-29(38)24(17-34)30-37(22-7-4-3-5-8-22)25(31(39)41-30)15-20-10-12-21(32)13-11-20/h3-15H,1-2H3,(H,35,36,38)/b25-15+,30-24+
InChIKey LKPWUIJERRWJOL-IZHSLTDHSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2414
Molecular Weight 578.046 g/mol
SMILES N(c1c(c(c(c(n1)C)C)-c1ccco1)C#N)C(\C(C#N)=C\1SC(\C(N1c1ccccc1)=C/c1ccc(cc1)Cl)=O)=O
SPLASH splash10-08gi-8984220000-0b6f5362809aa19a8086
Source of Spectrum Y-53-1248-12
Wiley ID 1876530