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2,5-bis( 2'-Cyanostyryl)-1,4-dihexyloxybenzene
SpectraBase Compound ID 3O2M8hjR7Ie
InChI InChI=1S/C36H40N2O2/c1-3-5-7-13-23-39-35-25-32(22-20-30-16-10-12-18-34(30)28-38)36(40-24-14-8-6-4-2)26-31(35)21-19-29-15-9-11-17-33(29)27-37/h9-12,15-22,25-26H,3-8,13-14,23-24H2,1-2H3/b21-19+,22-20+
InChIKey HIAMGIOYGVNFIN-FLFKKZLDSA-N
Mol Weight 532.7 g/mol
Molecular Formula C36H40N2O2
Exact Mass 532.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KdanOdtts3
Name 2,5-bis( 2'-Cyanostyryl)-1,4-dihexyloxybenzene
Alternate Name(s) 2-{(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]-2,5-bis(hexyloxy)phenyl]ethenyl}benzonitrile 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]-2,5-dihexoxyphenyl]ethenyl]benzonitrile 2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]-2,5-dihexoxy-phenyl]ethenyl]benzenecarbonitrile
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Formula C36H40N2O2
InChI InChI=1S/C36H40N2O2/c1-3-5-7-13-23-39-35-25-32(22-20-30-16-10-12-18-34(30)28-38)36(40-24-14-8-6-4-2)26-31(35)21-19-29-15-9-11-17-33(29)27-37/h9-12,15-22,25-26H,3-8,13-14,23-24H2,1-2H3/b21-19+,22-20+
InChIKey HIAMGIOYGVNFIN-FLFKKZLDSA-N
Molecular Weight 532.728 g/mol
SMILES c1(\C=C\c2c(C#N)cccc2)c(cc(\C=C\c2c(C#N)cccc2)c(c1)OCCCCCC)OCCCCCC
SPLASH splash10-01q9-0008090000-8562d11f38130d3d56e7
Source of Spectrum K1-2001-301-2
Wiley ID 846572