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3,3'-(1,4-Phenylene)bis(2-cyano-N-(4-sulfamoylphenyl)acrylamide)
SpectraBase Compound ID IvcaePoMEZ1
InChI InChI=1S/C26H20N6O6S2/c27-15-19(25(33)31-21-5-9-23(10-6-21)39(29,35)36)13-17-1-2-18(4-3-17)14-20(16-28)26(34)32-22-7-11-24(12-8-22)40(30,37)38/h1-14H,(H,31,33)(H,32,34)(H2,29,35,36)(H2,30,37,38)/b19-13+,20-14+
InChIKey KMWYMKSQIWDAAJ-IWGRKNQJSA-N
Mol Weight 576.6 g/mol
Molecular Formula C26H20N6O6S2
Exact Mass 576.088575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4xlctJiqJ4
Name (E)-2-cyano-N-[4-(aminosulfonyl)phenyl]-3-(4-(2-(4-amino-sulfonylphenylcarbamoyl)-2-cyanovinyl)phenyl)acrylamide
Appearance Yellow crystals
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Formula C26H20N6O6S2
InChI InChI=1S/C26H20N6O6S2/c27-15-19(25(33)31-21-5-9-23(10-6-21)39(29,35)36)13-17-1-2-18(4-3-17)14-20(16-28)26(34)32-22-7-11-24(12-8-22)40(30,37)38/h1-14H,(H,31,33)(H,32,34)(H2,29,35,36)(H2,30,37,38)/b19-13+,20-14+
InChIKey KMWYMKSQIWDAAJ-IWGRKNQJSA-N
Instrument Name JEOL-JMS 600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2576
Molecular Weight 576.602 g/mol
SMILES N(C(\C(=C\c1ccc(\C=C\(C(Nc2ccc(S(N)(=O)=O)cc2)=O)C#N)cc1)C#N)=O)c1ccc(S(N)(=O)=O)cc1
SPLASH splash10-0006-9020000000-1428118c736b9c39810d
Source of Spectrum Y-54-274-18
Wiley ID 1877800