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1,4-BIS-[1'-ETHYNYL-4'-[BIS-(4''-METHOXYPHENYL)-(4'''-HYDROXYPHENYL)-METHYL]]-BENZENE
SpectraBase Compound ID 7QHcZMGoygh
InChI InChI=1S/C64H50O6/c1-67-59-37-25-53(26-38-59)63(51-21-33-57(65)34-22-51,54-27-39-60(68-2)40-28-54)49-17-13-47(14-18-49)11-9-45-5-7-46(8-6-45)10-12-48-15-19-50(20-16-48)64(52-23-35-58(66)36-24-52,55-29-41-61(69-3)42-30-55)56-31-43-62(70-4)44-32-56/h5-8,13-44,65-66H,1-4H3
InChIKey JILHPXRTHONTRX-UHFFFAOYSA-N
Mol Weight 915.1 g/mol
Molecular Formula C64H50O6
Exact Mass 914.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRtX9fPdchk
Name 1,4-BIS-[1'-ETHYNYL-4'-[BIS-(4''-METHOXYPHENYL)-(4'''-HYDROXYPHENYL)-METHYL]]-BENZENE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H50O6
InChI InChI=1S/C64H50O6/c1-67-59-37-25-53(26-38-59)63(51-21-33-57(65)34-22-51,54-27-39-60(68-2)40-28-54)49-17-13-47(14-18-49)11-9-45-5-7-46(8-6-45)10-12-48-15-19-50(20-16-48)64(52-23-35-58(66)36-24-52,55-29-41-61(69-3)42-30-55)56-31-43-62(70-4)44-32-56/h5-8,13-44,65-66H,1-4H3
InChIKey JILHPXRTHONTRX-UHFFFAOYSA-N
Literature Reference Author O.PLIETZSCH,A.SCHADE,A.HAFNER,J.HUUSKONEN,K.RISSANEN,M.NIEGE R,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,283(2013)
Literature Reference DOI 10.1002/ejoc.201201162
Molecular Weight 915.097 g/mol
Solvent CDCl3
Source File Reference UWBT17438