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2-[(E)-2-[4-[(E)-2-(2-heptoxy-5-octoxyphenyl)ethenyl]phenyl]ethenyl]-1,4-dioctoxybenzene

View entire compound with spectra: 1 NMR

2-[(E)-2-[4-[(E)-2-(2-heptoxy-5-octoxyphenyl)ethenyl]phenyl]ethenyl]-1,4-dioctoxybenzene
SpectraBase Compound ID JWO0cpWaYdz
InChI InChI=1S/C53H80O4/c1-5-9-13-17-21-24-40-54-50-36-38-52(56-42-26-20-16-12-8-4)48(44-50)34-32-46-28-30-47(31-29-46)33-35-49-45-51(55-41-25-22-18-14-10-6-2)37-39-53(49)57-43-27-23-19-15-11-7-3/h28-39,44-45H,5-27,40-43H2,1-4H3/b34-32+,35-33+
InChIKey LKLBLOYBQTXIEF-XUXOKTBYSA-N
Mol Weight 781.2 g/mol
Molecular Formula C53H80O4
Exact Mass 780.605661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxVaURmsY2A
Name 2-[(E)-2-[4-[(E)-2-(2-heptoxy-5-octoxyphenyl)ethenyl]phenyl]ethenyl]-1,4-dioctoxybenzene
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H80O4
InChI InChI=1S/C53H80O4/c1-5-9-13-17-21-24-40-54-50-36-38-52(56-42-26-20-16-12-8-4)48(44-50)34-32-46-28-30-47(31-29-46)33-35-49-45-51(55-41-25-22-18-14-10-6-2)37-39-53(49)57-43-27-23-19-15-11-7-3/h28-39,44-45H,5-27,40-43H2,1-4H3/b34-32+,35-33+
InChIKey LKLBLOYBQTXIEF-XUXOKTBYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 781.216 g/mol
Source File Reference MHKO20255