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2-[(E)-2-[4-[(E)-2-(2,5-dioctoxyphenyl)ethenyl]phenyl]ethenyl]-1,4-dioctoxybenzene
SpectraBase Compound ID DX751yJhNLX
InChI InChI=1S/C54H82O4/c1-5-9-13-17-21-25-41-55-51-37-39-53(57-43-27-23-19-15-11-7-3)49(45-51)35-33-47-29-31-48(32-30-47)34-36-50-46-52(56-42-26-22-18-14-10-6-2)38-40-54(50)58-44-28-24-20-16-12-8-4/h29-40,45-46H,5-28,41-44H2,1-4H3/b35-33+,36-34+
InChIKey CYBYAUJJMJMSIR-LBYUQGKWSA-N
Mol Weight 795.2 g/mol
Molecular Formula C54H82O4
Exact Mass 794.621311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ka2Ob2TIMx
Name 2-[(E)-2-[4-[(E)-2-(2,5-dioctoxyphenyl)ethenyl]phenyl]ethenyl]-1,4-dioctoxybenzene
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H82O4
InChI InChI=1S/C54H82O4/c1-5-9-13-17-21-25-41-55-51-37-39-53(57-43-27-23-19-15-11-7-3)49(45-51)35-33-47-29-31-48(32-30-47)34-36-50-46-52(56-42-26-22-18-14-10-6-2)38-40-54(50)58-44-28-24-20-16-12-8-4/h29-40,45-46H,5-28,41-44H2,1-4H3/b35-33+,36-34+
InChIKey CYBYAUJJMJMSIR-LBYUQGKWSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 795.243 g/mol
Source File Reference MHKO20022