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[4-(2)-3,4]-12G1-CO2CH3;METHYL-3,4-BIS-[4'-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID 4DqWU4vZ6kl
InChI InChI=1S/C60H80O8/c1-4-6-8-10-12-14-16-18-20-22-42-63-54-33-24-49(25-34-54)45-65-56-37-28-51(29-38-56)47-67-58-41-32-53(60(61)62-3)44-59(58)68-48-52-30-39-57(40-31-52)66-46-50-26-35-55(36-27-50)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 RRMLTKYNZTVUQB-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 EO3hjCI87cH
Name [4-(2)-3,4]-12G1-CO2CH3;METHYL-3,4-BIS-[4'-[PARA-(N-DODECAN-1-YLOXY)-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/c1-4-6-8-10-12-14-16-18-20-22-42-63-54-33-24-49(25-34-54)45-65-56-37-28-51(29-38-56)47-67-58-41-32-53(60(61)62-3)44-59(58)68-48-52-30-39-57(40-31-52)66-46-50-26-35-55(36-27-50)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 RRMLTKYNZTVUQB-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 33208
Solvent CDCl3