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[4-(3)-3,4]-12G1-CO2CH3;METHYL-3,4-BIS-[4'-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID 9CwN3h0nCeg
InChI InChI=1S/C74H92O10/c1-4-6-8-10-12-14-16-18-20-22-50-77-66-37-24-59(25-38-66)53-79-68-41-28-61(29-42-68)55-81-70-45-32-63(33-46-70)57-83-72-49-36-65(74(75)76-3)52-73(72)84-58-64-34-47-71(48-35-64)82-56-62-30-43-69(44-31-62)80-54-60-26-39-67(40-27-60)78-51-23-21-19-17-15-13-11-9-7-5-2/h24-49,52H,4-23,50-51,53-58H2,1-3H3
InChIKey WUSVXSIODPYIRO-UHFFFAOYSA-N
Mol Weight 1141.5 g/mol
Molecular Formula C74H92O10
Exact Mass 1140.669049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tMIZnZIKnG
Name [4-(3)-3,4]-12G1-CO2CH3;METHYL-3,4-BIS-[4'-[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 C74H92O10
InChI InChI=1S/C74H92O10/c1-4-6-8-10-12-14-16-18-20-22-50-77-66-37-24-59(25-38-66)53-79-68-41-28-61(29-42-68)55-81-70-45-32-63(33-46-70)57-83-72-49-36-65(74(75)76-3)52-73(72)84-58-64-34-47-71(48-35-64)82-56-62-30-43-69(44-31-62)80-54-60-26-39-67(40-27-60)78-51-23-21-19-17-15-13-11-9-7-5-2/h24-49,52H,4-23,50-51,53-58H2,1-3H3
InChIKey WUSVXSIODPYIRO-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 1141.538 g/mol
Sample ID 33216
Solvent CDCl3