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2-[4-[4-(1,2,2-tricyanoethenyl)-N-[4-(1,2,2-tricyanoethenyl)phenyl]anilino]phenyl]ethene-1,1,2-tricarbonitrile
SpectraBase Compound ID IABhEX8MVYg
InChI InChI=1S/C33H12N10/c34-13-25(14-35)31(19-40)22-1-7-28(8-2-22)43(29-9-3-23(4-10-29)32(20-41)26(15-36)16-37)30-11-5-24(6-12-30)33(21-42)27(17-38)18-39/h1-12H
InChIKey POLCVKKTWZCOOC-UHFFFAOYSA-N
Mol Weight 548.5 g/mol
Molecular Formula C33H12N10
Exact Mass 548.12464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV9eI7nBEys
Name 2-[4-[4-(1,2,2-tricyanoethenyl)-N-[4-(1,2,2-tricyanoethenyl)phenyl]anilino]phenyl]ethene-1,1,2-tricarbonitrile
Alternate Name(s) 2-[4-[4-(1,2,2-tricyanovinyl)-N-[4-(1,2,2-tricyanovinyl)phenyl]anilino]phenyl]ethene-1,1,2-tricarbonitrile 2-[4-[bis[4-(1,2,2-tricyanoethenyl)phenyl]amino]phenyl]ethene-1,1,2-tricarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C33H12N10
InChI InChI=1S/C33H12N10/c34-13-25(14-35)31(19-40)22-1-7-28(8-2-22)43(29-9-3-23(4-10-29)32(20-41)26(15-36)16-37)30-11-5-24(6-12-30)33(21-42)27(17-38)18-39/h1-12H
InChIKey POLCVKKTWZCOOC-UHFFFAOYSA-N
Molecular Weight 548.529 g/mol
SMILES C(=C(C#N)c1ccc(N(c2ccc(C(=C(C#N)C#N)C#N)cc2)c2ccc(C(=C(C#N)C#N)C#N)cc2)cc1)(C#N)C#N
SPLASH splash10-0002-0000090000-66d9dbb028f45307501c
Source of Spectrum KC-0-585-3
Wiley ID 828178