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4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-cyano-2,5-dihexoxyphenyl)ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dihexoxybenzonitrile
SpectraBase Compound ID 25D5UmoMyl
InChI InChI=1S/C80H108N2O6/c1-7-13-19-25-27-33-55-83-75-57-70(48-44-66-37-41-68(42-38-66)46-50-72-60-80(88-54-32-24-18-12-6)74(64-82)62-78(72)86-52-30-22-16-10-4)76(84-56-34-28-26-20-14-8-2)58-69(75)47-43-65-35-39-67(40-36-65)45-49-71-59-79(87-53-31-23-17-11-5)73(63-81)61-77(71)85-51-29-21-15-9-3/h35-50,57-62H,7-34,51-56H2,1-6H3/b47-43+,48-44+,49-45+,50-46+
InChIKey MNEPPEDMSMUZBR-PBNHSYHDSA-N
Mol Weight 1193.8 g/mol
Molecular Formula C80H108N2O6
Exact Mass 1192.820739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ltLGjBnrA9
Name 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-cyano-2,5-dihexoxyphenyl)ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dihexoxybenzonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H108N2O6
InChI InChI=1S/C80H108N2O6/c1-7-13-19-25-27-33-55-83-75-57-70(48-44-66-37-41-68(42-38-66)46-50-72-60-80(88-54-32-24-18-12-6)74(64-82)62-78(72)86-52-30-22-16-10-4)76(84-56-34-28-26-20-14-8-2)58-69(75)47-43-65-35-39-67(40-36-65)45-49-71-59-79(87-53-31-23-17-11-5)73(63-81)61-77(71)85-51-29-21-15-9-3/h35-50,57-62H,7-34,51-56H2,1-6H3/b47-43+,48-44+,49-45+,50-46+
InChIKey MNEPPEDMSMUZBR-PBNHSYHDSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 1193.747 g/mol
Source File Reference MHKO20183