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3,3-bis(Methylthio)-2-[N-(2'-chloro-5'-nitrobenzoyl)-N-methylamino]-acrylonitrile
SpectraBase Compound ID KxMHZCovjN
InChI InChI=1S/C13H12ClN3O3S2/c1-16(11(7-15)13(21-2)22-3)12(18)9-6-8(17(19)20)4-5-10(9)14/h4-6H,1-3H3
InChIKey KBSFEHLUWUTUFA-UHFFFAOYSA-N
Mol Weight 357.83 g/mol
Molecular Formula C13H12ClN3O3S2
Exact Mass 357.000861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gez59SRECK6
Name 3,3-bis(Methylthio)-2-[N-(2'-chloro-5'-nitrobenzoyl)-N-methylamino]-acrylonitrile
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Formula C13H12ClN3O3S2
InChI InChI=1S/C13H12ClN3O3S2/c1-16(11(7-15)13(21-2)22-3)12(18)9-6-8(17(19)20)4-5-10(9)14/h4-6H,1-3H3
InChIKey KBSFEHLUWUTUFA-UHFFFAOYSA-N
Molecular Weight 357.830 g/mol
SMILES C(N(C(c1cc(N(=O)=O)ccc1Cl)=O)C)(=C(SC)SC)C#N
SPLASH splash10-03di-2309000000-f26067fa8b727646238a
Source of Spectrum Y-35-229-4
Synonyms 2-Chloro-N-[1-cyano-2,2-bis(methylsulfanyl)vinyl]-N-methyl-5-nitrobenzamide 2-Chloro-N-[1-cyano-2,2-bis(methylthio)ethenyl]-N-methyl-5-nitrobenzamide 2-Chloro-N-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-N-methyl-5-nitrobenzamide 2-Chloro-N-[1-cyano-2,2-bis(methylsulfanyl)vinyl]-N-methyl-5-nitro-benzamide 2-Chloranyl-N-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-N-methyl-5-nitro-benzamide
Wiley ID 1346305