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2,5-bis( 3'-Cyanostyryl)-1,4-dihexyloxybenzene
SpectraBase Compound ID 4A0t4JVzdSX
InChI InChI=1S/C36H40N2O2/c1-3-5-7-9-21-39-35-25-34(20-18-30-14-12-16-32(24-30)28-38)36(40-22-10-8-6-4-2)26-33(35)19-17-29-13-11-15-31(23-29)27-37/h11-20,23-26H,3-10,21-22H2,1-2H3/b19-17+,20-18+
InChIKey WCMLYDIRVVFXMT-XPWSMXQVSA-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 4YDdQOUrVQ
Name 2,5-bis( 3'-Cyanostyryl)-1,4-dihexyloxybenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40N2O2
InChI InChI=1S/C36H40N2O2/c1-3-5-7-9-21-39-35-25-34(20-18-30-14-12-16-32(24-30)28-38)36(40-22-10-8-6-4-2)26-33(35)19-17-29-13-11-15-31(23-29)27-37/h11-20,23-26H,3-10,21-22H2,1-2H3/b19-17+,20-18+
InChIKey WCMLYDIRVVFXMT-XPWSMXQVSA-N
Molecular Weight 532.728 g/mol
SMILES c1(\C=C\c2cc(C#N)ccc2)c(cc(c(c1)OCCCCCC)\C=C\c1cc(C#N)ccc1)OCCCCCC
SPLASH splash10-01q9-0007090000-b31ae75edafa28d25270
Source of Spectrum K1-2001-301-2
Synonyms 3-{(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]-2,5-bis(hexyloxy)phenyl]ethenyl}benzonitrile 3-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]-2,5-dihexoxyphenyl]ethenyl]benzonitrile 3-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]-2,5-dihexoxy-phenyl]ethenyl]benzenecarbonitrile
Wiley ID 846571