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3,4-BIS-[6-(4'-CYANOBIPHENYL-4-YLOXY)-HEXYLOXY]-BENZOIC-ACID-ETHYLESTER

View entire compound with spectra: 1 NMR

3,4-BIS-[6-(4'-CYANOBIPHENYL-4-YLOXY)-HEXYLOXY]-BENZOIC-ACID-ETHYLESTER
SpectraBase Compound ID 8YkkdhZWNRg
InChI InChI=1S/C55H64N2O6/c1-2-59-55(58)50-31-36-53(62-39-17-13-9-5-3-7-11-15-37-60-51-32-27-48(28-33-51)46-23-19-44(42-56)20-24-46)54(41-50)63-40-18-14-10-6-4-8-12-16-38-61-52-34-29-49(30-35-52)47-25-21-45(43-57)22-26-47/h19-36,41H,2-18,37-40H2,1H3
InChIKey IDDFNFHVMVPOHI-UHFFFAOYSA-N
Mol Weight 849.1 g/mol
Molecular Formula C55H64N2O6
Exact Mass 848.476438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIoDPFp54Dp
Name 3,4-BIS-[6-(4'-CYANOBIPHENYL-4-YLOXY)-HEXYLOXY]-BENZOIC-ACID-ETHYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H64N2O6
InChI InChI=1S/C55H64N2O6/c1-2-59-55(58)50-31-36-53(62-39-17-13-9-5-3-7-11-15-37-60-51-32-27-48(28-33-51)46-23-19-44(42-56)20-24-46)54(41-50)63-40-18-14-10-6-4-8-12-16-38-61-52-34-29-49(30-35-52)47-25-21-45(43-57)22-26-47/h19-36,41H,2-18,37-40H2,1H3
InChIKey IDDFNFHVMVPOHI-UHFFFAOYSA-N
Literature Reference Author P.H.J.KOUWER,G.H.MEHL
Literature Reference Citation J.AM.CHEM.SOC.,125,11172(2003)
Literature Reference DOI 10.1021/ja037075y
Molecular Weight 849.123 g/mol
Sample ID 35106
Solvent CDCl3