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[4-(2)-3,4-4]-12G1-CH2OH;4-[3',4'-BIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID JZhCRHFN396
InChI InChI=1S/C66H86O8/c1-3-5-7-9-11-13-15-17-19-21-45-68-60-36-25-55(26-37-60)49-70-63-40-29-57(30-41-63)51-73-65-44-33-59(53-72-62-34-23-54(48-67)24-35-62)47-66(65)74-52-58-31-42-64(43-32-58)71-50-56-27-38-61(39-28-56)69-46-22-20-18-16-14-12-10-8-6-4-2/h23-44,47,67H,3-22,45-46,48-53H2,1-2H3
InChIKey KZEARUPWPQEJAX-UHFFFAOYSA-N
Mol Weight 1007.4 g/mol
Molecular Formula C66H86O8
Exact Mass 1006.63227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GezT7dIWED9
Name [4-(2)-3,4-4]-12G1-CH2OH;4-[3',4'-BIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H86O8
InChI InChI=1S/C66H86O8/c1-3-5-7-9-11-13-15-17-19-21-45-68-60-36-25-55(26-37-60)49-70-63-40-29-57(30-41-63)51-73-65-44-33-59(53-72-62-34-23-54(48-67)24-35-62)47-66(65)74-52-58-31-42-64(43-32-58)71-50-56-27-38-61(39-28-56)69-46-22-20-18-16-14-12-10-8-6-4-2/h23-44,47,67H,3-22,45-46,48-53H2,1-2H3
InChIKey KZEARUPWPQEJAX-UHFFFAOYSA-N
Literature Reference Author V.PERCEC,C.M.MITCHELL,W.D.CHO,S.UCHIDA,M.GLODDE,G.UNGAR,X.ZE NG,Y.LIU,V.S.K.BALAG
Literature Reference Citation J.AM.CHEM.SOC.,126,6078(2004)
Literature Reference DOI 10.1021/ja049846j
Molecular Weight 1007.404 g/mol
Sample ID 33211
Solvent CDCl3