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[4-(2)-3,4,5-4]-12G1-CO2CH3;METHYL-4-[3',4',5'-TRIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID 9MKY2r7lGhR
InChI InChI=1S/C93H122O12/c1-5-8-11-14-17-20-23-26-29-32-63-96-83-49-35-75(36-50-83)68-99-86-55-41-78(42-56-86)71-103-90-66-81(74-102-89-61-47-82(48-62-89)93(94)95-4)67-91(104-72-79-43-57-87(58-44-79)100-69-76-37-51-84(52-38-76)97-64-33-30-27-24-21-18-15-12-9-6-2)92(90)105-73-80-45-59-88(60-46-80)101-70-77-39-53-85(54-40-77)98-65-34-31-28-25-22-19-16-13-10-7-3/h35-62,66-67H,5-34,63-65,68-74H2,1-4H3
InChIKey ZPJXSCUBMKYCFP-UHFFFAOYSA-N
Mol Weight 1432.0 g/mol
Molecular Formula C93H122O12
Exact Mass 1430.893629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJ5BzmUPhbu
Name [4-(2)-3,4,5-4]-12G1-CO2CH3;METHYL-4-[3',4',5'-TRIS-[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 C93H122O12
InChI InChI=1S/C93H122O12/c1-5-8-11-14-17-20-23-26-29-32-63-96-83-49-35-75(36-50-83)68-99-86-55-41-78(42-56-86)71-103-90-66-81(74-102-89-61-47-82(48-62-89)93(94)95-4)67-91(104-72-79-43-57-87(58-44-79)100-69-76-37-51-84(52-38-76)97-64-33-30-27-24-21-18-15-12-9-6-2)92(90)105-73-80-45-59-88(60-46-80)101-70-77-39-53-85(54-40-77)98-65-34-31-28-25-22-19-16-13-10-7-3/h35-62,66-67H,5-34,63-65,68-74H2,1-4H3
InChIKey ZPJXSCUBMKYCFP-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 1431.984 g/mol
Sample ID 33199
Solvent CDCl3