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4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(bis(2-hexyloctyl)amino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzonitrile
SpectraBase Compound ID 3XKA164v5Wm
InChI InChI=1S/C59H80N2/c1-5-9-13-17-21-57(22-18-14-10-6-2)48-61(49-58(23-19-15-11-7-3)24-20-16-12-8-4)59-45-43-55(44-46-59)38-37-53-33-31-51(32-34-53)26-25-50-27-29-52(30-28-50)35-36-54-39-41-56(47-60)42-40-54/h25-46,57-58H,5-24,48-49H2,1-4H3/b26-25+,36-35+,38-37+
InChIKey CBUKWRASRKZREW-CSBYKBJNSA-N
Mol Weight 817.3 g/mol
Molecular Formula C59H80N2
Exact Mass 816.632151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Vbbap4aVTx
Name 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(bis(2-hexyloctyl)amino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H80N2
InChI InChI=1S/C59H80N2/c1-5-9-13-17-21-57(22-18-14-10-6-2)48-61(49-58(23-19-15-11-7-3)24-20-16-12-8-4)59-45-43-55(44-46-59)38-37-53-33-31-51(32-34-53)26-25-50-27-29-52(30-28-50)35-36-54-39-41-56(47-60)42-40-54/h25-46,57-58H,5-24,48-49H2,1-4H3/b26-25+,36-35+,38-37+
InChIKey CBUKWRASRKZREW-CSBYKBJNSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 817.298 g/mol
Source File Reference MHKO20312