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3-((4-Chlorophenyl)amino)-2-cyano-N-(9-ethyl-9H-carbazol-3-yl)-3-(methylthio)acrylamide
SpectraBase Compound ID DGgGOg6I6A7
InChI InChI=1S/C25H21ClN4OS/c1-3-30-22-7-5-4-6-19(22)20-14-18(12-13-23(20)30)28-24(31)21(15-27)25(32-2)29-17-10-8-16(26)9-11-17/h4-14,29H,3H2,1-2H3,(H,28,31)
InChIKey KMMJAOSZMOKCCR-UHFFFAOYSA-N
Mol Weight 460.98 g/mol
Molecular Formula C25H21ClN4OS
Exact Mass 460.11246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcplVI5RfmD
Name 3-((4-Chlorophenyl)amino)-2-cyano-N-(9-ethyl-9H-carbazol-3-yl)-3-(methylthio)acrylamide
Appearance Yellow crystals
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Formula C25H21ClN4OS
InChI InChI=1S/C25H21ClN4OS/c1-3-30-22-7-5-4-6-19(22)20-14-18(12-13-23(20)30)28-24(31)21(15-27)25(32-2)29-17-10-8-16(26)9-11-17/h4-14,29H,3H2,1-2H3,(H,28,31)
InChIKey KMMJAOSZMOKCCR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4148
Molecular Weight 460.983 g/mol
SMILES N(c1ccc(Cl)cc1)C(=C(C(=O)Nc1ccc2c(c3c(cccc3)[n]2CC)c1)C#N)SC
SPLASH splash10-0w91-1689400000-2a66a1ec8899649bcbf2
Source of Spectrum Y-58-SM23-9e
Wiley ID 1880861