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[4-3,4-4-(2)]-12G1-CH2OH;4-[4'-[3'',4''-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID 2nkNr1fxBFP
InChI InChI=1S/C59H80O7/c1-3-5-7-9-11-13-15-17-19-21-41-61-54-34-25-51(26-35-54)46-65-58-40-31-53(48-64-57-38-29-50(30-39-57)45-63-56-32-23-49(44-60)24-33-56)43-59(58)66-47-52-27-36-55(37-28-52)62-42-22-20-18-16-14-12-10-8-6-4-2/h23-40,43,60H,3-22,41-42,44-48H2,1-2H3
InChIKey FLBAILWUAQLARD-UHFFFAOYSA-N
Mol Weight 901.3 g/mol
Molecular Formula C59H80O7
Exact Mass 900.590405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bq0fwTE13h4
Name [4-3,4-4-(2)]-12G1-CH2OH;4-[4'-[3'',4''-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H80O7
InChI InChI=1S/C59H80O7/c1-3-5-7-9-11-13-15-17-19-21-41-61-54-34-25-51(26-35-54)46-65-58-40-31-53(48-64-57-38-29-50(30-39-57)45-63-56-32-23-49(44-60)24-33-56)43-59(58)66-47-52-27-36-55(37-28-52)62-42-22-20-18-16-14-12-10-8-6-4-2/h23-40,43,60H,3-22,41-42,44-48H2,1-2H3
InChIKey FLBAILWUAQLARD-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 901.280 g/mol
Sample ID 33205
Solvent CDCl3