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[4-(2)-3,4-4]-12G1-CO2CH3;METHYL-4-[3',4'-BIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID DP4FrgG0dBE
InChI InChI=1S/C67H86O9/c1-4-6-8-10-12-14-16-18-20-22-46-70-60-35-24-54(25-36-60)49-72-62-39-28-56(29-40-62)51-75-65-45-32-58(53-74-64-43-33-59(34-44-64)67(68)69-3)48-66(65)76-52-57-30-41-63(42-31-57)73-50-55-26-37-61(38-27-55)71-47-23-21-19-17-15-13-11-9-7-5-2/h24-45,48H,4-23,46-47,49-53H2,1-3H3
InChIKey FFVSUXLOPWEOPE-UHFFFAOYSA-N
Mol Weight 1035.4 g/mol
Molecular Formula C67H86O9
Exact Mass 1034.627184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mvU6WMOkRS
Name [4-(2)-3,4-4]-12G1-CO2CH3;METHYL-4-[3',4'-BIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H86O9
InChI InChI=1S/C67H86O9/c1-4-6-8-10-12-14-16-18-20-22-46-70-60-35-24-54(25-36-60)49-72-62-39-28-56(29-40-62)51-75-65-45-32-58(53-74-64-43-33-59(34-44-64)67(68)69-3)48-66(65)76-52-57-30-41-63(42-31-57)73-50-55-26-37-61(38-27-55)71-47-23-21-19-17-15-13-11-9-7-5-2/h24-45,48H,4-23,46-47,49-53H2,1-3H3
InChIKey FFVSUXLOPWEOPE-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 1035.414 g/mol
Sample ID 33210
Solvent CDCl3