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[4-(3)-3,4]-12G1-CH2OH;3,4-BIS-[4'-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID 7OMxj0hFaDj
InChI InChI=1S/C73H92O9/c1-3-5-7-9-11-13-15-17-19-21-49-75-66-36-23-59(24-37-66)53-77-68-40-27-61(28-41-68)55-79-70-44-31-63(32-45-70)57-81-72-48-35-65(52-74)51-73(72)82-58-64-33-46-71(47-34-64)80-56-62-29-42-69(43-30-62)78-54-60-25-38-67(39-26-60)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 UUYOGTBFJWVYRV-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 8Rrrr0QBLSf
Name [4-(3)-3,4]-12G1-CH2OH;3,4-BIS-[4'-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C73H92O9
InChI InChI=1S/C73H92O9/c1-3-5-7-9-11-13-15-17-19-21-49-75-66-36-23-59(24-37-66)53-77-68-40-27-61(28-41-68)55-79-70-44-31-63(32-45-70)57-81-72-48-35-65(52-74)51-73(72)82-58-64-33-46-71(47-34-64)80-56-62-29-42-69(43-30-62)78-54-60-25-38-67(39-26-60)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 UUYOGTBFJWVYRV-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 33217
Solvent CDCl3