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(E)-2-cyano-4-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylene)-3-pyrrolidinyl]-2-butenoic acid methyl ester
SpectraBase Compound ID 1mbwRPd3N4z
InChI InChI=1S/C24H24N2O4S/c1-18-8-12-23(13-9-18)31(28,29)26-16-21(11-10-20(15-25)24(27)30-2)22(17-26)14-19-6-4-3-5-7-19/h3-10,12-14,21H,11,16-17H2,1-2H3/b20-10+,22-14+
InChIKey ZDERWPZTZFTLAX-WCSOKLLWSA-N
Mol Weight 436.53 g/mol
Molecular Formula C24H24N2O4S
Exact Mass 436.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nBPGXYUyEa
Name (E)-2-cyano-4-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylene)-3-pyrrolidinyl]-2-butenoic acid methyl ester
Alternate Name(s) (E)-4-[(4Z)-4-benzal-1-tosyl-pyrrolidin-3-yl]-2-cyano-but-2-enoic acid methyl ester Methyl (E)-2-cyano-4-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylidene)pyrrolidin-3-yl]but-2-enoate Methyl (E)-4-[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2-cyanobut-2-enoate Methyl (E)-4-[(4Z)-4-benzylidene-1-(p-tolylsulfonyl)pyrrolidin-3-yl]-2-cyano-but-2-enoate
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Formula C24H24N2O4S
InChI InChI=1S/C24H24N2O4S/c1-18-8-12-23(13-9-18)31(28,29)26-16-21(11-10-20(15-25)24(27)30-2)22(17-26)14-19-6-4-3-5-7-19/h3-10,12-14,21H,11,16-17H2,1-2H3/b20-10+,22-14+
InChIKey ZDERWPZTZFTLAX-WCSOKLLWSA-N
Molecular Weight 436.526 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC(\C1=C/c1ccccc1)C\C=C\(C(=O)OC)C#N
SPLASH splash10-053r-2793100000-3be953f33f47385e177e
Source of Spectrum D1-2007-720-4
Wiley ID 1614422