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[4-(2)-3,4-4-(2)]-12G1-CH2OH;4-[4'-[3'',4''-BIS-[4'''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID 8TlygIF46pr
InChI InChI=1S/C73H92O9/c1-3-5-7-9-11-13-15-17-19-21-49-75-66-38-25-60(26-39-66)53-78-69-44-31-63(32-45-69)56-81-72-48-35-65(58-80-71-42-29-62(30-43-71)55-77-68-36-23-59(52-74)24-37-68)51-73(72)82-57-64-33-46-70(47-34-64)79-54-61-27-40-67(41-28-61)76-50-22-20-18-16-14-12-10-8-6-4-2/h23-48,51,74H,3-22,49-50,52-58H2,1-2H3
InChIKey AAGPLHPYDGLJAH-UHFFFAOYSA-N
Mol Weight 1113.5 g/mol
Molecular Formula C73H92O9
Exact Mass 1112.674135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81tc4jnopSA
Name [4-(2)-3,4-4-(2)]-12G1-CH2OH;4-[4'-[3'',4''-BIS-[4'''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C73H92O9
InChI InChI=1S/C73H92O9/c1-3-5-7-9-11-13-15-17-19-21-49-75-66-38-25-60(26-39-66)53-78-69-44-31-63(32-45-69)56-81-72-48-35-65(58-80-71-42-29-62(30-43-71)55-77-68-36-23-59(52-74)24-37-68)51-73(72)82-57-64-33-46-70(47-34-64)79-54-61-27-40-67(41-28-61)76-50-22-20-18-16-14-12-10-8-6-4-2/h23-48,51,74H,3-22,49-50,52-58H2,1-2H3
InChIKey AAGPLHPYDGLJAH-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 1113.528 g/mol
Sample ID 33213
Solvent CDCl3