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[4-3,4-4-(2)]-12G1-CO2CH3;METHYL-4-[4'-[3'',4''-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID JjHKhan8Dc3
InChI InChI=1S/C60H80O8/c1-4-6-8-10-12-14-16-18-20-22-42-63-54-33-24-50(25-34-54)46-67-58-41-30-52(48-66-56-37-28-49(29-38-56)45-65-57-39-31-53(32-40-57)60(61)62-3)44-59(58)68-47-51-26-35-55(36-27-51)64-43-23-21-19-17-15-13-11-9-7-5-2/h24-41,44H,4-23,42-43,45-48H2,1-3H3
InChIKey LUYFGBZIDTWRBJ-UHFFFAOYSA-N
Mol Weight 929.3 g/mol
Molecular Formula C60H80O8
Exact Mass 928.58532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIIqUUmeQxR
Name [4-3,4-4-(2)]-12G1-CO2CH3;METHYL-4-[4'-[3'',4''-BIS-[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 C60H80O8
InChI InChI=1S/C60H80O8/c1-4-6-8-10-12-14-16-18-20-22-42-63-54-33-24-50(25-34-54)46-67-58-41-30-52(48-66-56-37-28-49(29-38-56)45-65-57-39-31-53(32-40-57)60(61)62-3)44-59(58)68-47-51-26-35-55(36-27-51)64-43-23-21-19-17-15-13-11-9-7-5-2/h24-41,44H,4-23,42-43,45-48H2,1-3H3
InChIKey LUYFGBZIDTWRBJ-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 929.290 g/mol
Sample ID 33204
Solvent CDCl3