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[4-(2)-3,4,5]-12G1-CO2CH3;METHYL-3,4,5-TRIS-[4'-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID LxDCYPy3UO3
InChI InChI=1S/C86H116O11/c1-5-8-11-14-17-20-23-26-29-32-59-89-77-47-35-70(36-48-77)64-92-80-53-41-73(42-54-80)67-95-83-62-76(86(87)88-4)63-84(96-68-74-43-55-81(56-44-74)93-65-71-37-49-78(50-38-71)90-60-33-30-27-24-21-18-15-12-9-6-2)85(83)97-69-75-45-57-82(58-46-75)94-66-72-39-51-79(52-40-72)91-61-34-31-28-25-22-19-16-13-10-7-3/h35-58,62-63H,5-34,59-61,64-69H2,1-4H3
InChIKey RQSCIFJGDLRZSN-UHFFFAOYSA-N
Mol Weight 1325.9 g/mol
Molecular Formula C86H116O11
Exact Mass 1324.851765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26KoPtfILAB
Name [4-(2)-3,4,5]-12G1-CO2CH3;METHYL-3,4,5-TRIS-[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 C86H116O11
InChI InChI=1S/C86H116O11/c1-5-8-11-14-17-20-23-26-29-32-59-89-77-47-35-70(36-48-77)64-92-80-53-41-73(42-54-80)67-95-83-62-76(86(87)88-4)63-84(96-68-74-43-55-81(56-44-74)93-65-71-37-49-78(50-38-71)90-60-33-30-27-24-21-18-15-12-9-6-2)85(83)97-69-75-45-57-82(58-46-75)94-66-72-39-51-79(52-40-72)91-61-34-31-28-25-22-19-16-13-10-7-3/h35-58,62-63H,5-34,59-61,64-69H2,1-4H3
InChIKey RQSCIFJGDLRZSN-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 1325.860 g/mol
Sample ID 33197
Solvent CDCl3