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[4-3,4-4]-12G1-CH2OH;4-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID CXOsYgMAaun
InChI InChI=1S/C52H74O6/c1-3-5-7-9-11-13-15-17-19-21-37-54-48-32-25-45(26-33-48)41-57-51-36-29-47(43-56-50-30-23-44(40-53)24-31-50)39-52(51)58-42-46-27-34-49(35-28-46)55-38-22-20-18-16-14-12-10-8-6-4-2/h23-36,39,53H,3-22,37-38,40-43H2,1-2H3
InChIKey XUHHMWIVDSUWPU-UHFFFAOYSA-N
Mol Weight 795.2 g/mol
Molecular Formula C52H74O6
Exact Mass 794.54854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkPlpGuacmF
Name [4-3,4-4]-12G1-CH2OH;4-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H74O6
InChI InChI=1S/C52H74O6/c1-3-5-7-9-11-13-15-17-19-21-37-54-48-32-25-45(26-33-48)41-57-51-36-29-47(43-56-50-30-23-44(40-53)24-31-50)39-52(51)58-42-46-27-34-49(35-28-46)55-38-22-20-18-16-14-12-10-8-6-4-2/h23-36,39,53H,3-22,37-38,40-43H2,1-2H3
InChIKey XUHHMWIVDSUWPU-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 795.156 g/mol
Sample ID 33203
Solvent CDCl3