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5-[(E)-2-[4-[(E)-2-(3,5-dicyanophenyl)ethenyl]-2,5-dihexoxy-phenyl]ethenyl]benzene-1,3-dicarbonitrile
SpectraBase Compound ID G42nnH9fKek
InChI InChI=1S/C38H38N4O2/c1-3-5-7-9-15-43-37-23-36(14-12-30-19-33(27-41)22-34(20-30)28-42)38(44-16-10-8-6-4-2)24-35(37)13-11-29-17-31(25-39)21-32(18-29)26-40/h11-14,17-24H,3-10,15-16H2,1-2H3/b13-11+,14-12+
InChIKey KLAYKXLHANPYGN-PHEQNACWSA-N
Mol Weight 582.7 g/mol
Molecular Formula C38H38N4O2
Exact Mass 582.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70SEbHzywKw
Name 5-[(E)-2-[4-[(E)-2-(3,5-dicyanophenyl)ethenyl]-2,5-dihexoxy-phenyl]ethenyl]benzene-1,3-dicarbonitrile
Alternate Name(s) 5-[(E)-2-[4-[(E)-2-(3,5-dicyanophenyl)vinyl]-2,5-dihexoxy-phenyl]vinyl]benzene-1,3-dicarbonitrile 5-[(E)-2-[4-[(E)-2-(3,5-dicyanophenyl)vinyl]-2,5-dihexoxy-phenyl]vinyl]isophthalonitrile
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Formula C38H38N4O2
InChI InChI=1S/C38H38N4O2/c1-3-5-7-9-15-43-37-23-36(14-12-30-19-33(27-41)22-34(20-30)28-42)38(44-16-10-8-6-4-2)24-35(37)13-11-29-17-31(25-39)21-32(18-29)26-40/h11-14,17-24H,3-10,15-16H2,1-2H3/b13-11+,14-12+
InChIKey KLAYKXLHANPYGN-PHEQNACWSA-N
Molecular Weight 582.748 g/mol
SMILES c1(\C=C\c2cc(C#N)cc(C#N)c2)c(cc(c(c1)OCCCCCC)\C=C\c1cc(C#N)cc(C#N)c1)OCCCCCC
SPLASH splash10-03e9-0100960000-73eba31d9de8340f0e0b
Source of Spectrum K1-2001-301-1
Wiley ID 846573