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1-[(E)-2-[4-[(E)-2-[2-heptoxy-5-octoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxy-4-[(E)-2-phenylethenyl]benzene

View entire compound with spectra: 1 NMR

1-[(E)-2-[4-[(E)-2-[2-heptoxy-5-octoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxy-4-[(E)-2-phenylethenyl]benzene
SpectraBase Compound ID Aek2Pw3Ett
InChI InChI=1S/C69H92O4/c1-5-9-13-17-21-31-51-71-66-56-64(68(70-50-30-20-16-12-8-4)54-62(66)46-42-58-34-26-24-27-35-58)48-44-60-38-40-61(41-39-60)45-49-65-57-67(72-52-32-22-18-14-10-6-2)63(47-43-59-36-28-25-29-37-59)55-69(65)73-53-33-23-19-15-11-7-3/h24-29,34-49,54-57H,5-23,30-33,50-53H2,1-4H3/b46-42+,47-43+,48-44+,49-45+
InChIKey QHGKVRDUEJTKTP-KYYRZPSDSA-N
Mol Weight 985.5 g/mol
Molecular Formula C69H92O4
Exact Mass 984.699561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zarpQEfXeR
Name 1-[(E)-2-[4-[(E)-2-[2-heptoxy-5-octoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxy-4-[(E)-2-phenylethenyl]benzene
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C69H92O4
InChI InChI=1S/C69H92O4/c1-5-9-13-17-21-31-51-71-66-56-64(68(70-50-30-20-16-12-8-4)54-62(66)46-42-58-34-26-24-27-35-58)48-44-60-38-40-61(41-39-60)45-49-65-57-67(72-52-32-22-18-14-10-6-2)63(47-43-59-36-28-25-29-37-59)55-69(65)73-53-33-23-19-15-11-7-3/h24-29,34-49,54-57H,5-23,30-33,50-53H2,1-4H3/b46-42+,47-43+,48-44+,49-45+
InChIKey QHGKVRDUEJTKTP-KYYRZPSDSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 985.487 g/mol
Source File Reference MHKO20257