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3,4-BIS-[3',4',5'-TRIS-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYL-ALCOHOL
SpectraBase Compound ID jTmSa7qgwA
InChI InChI=1S/C93H164O9/c1-7-13-19-25-31-37-43-49-55-61-69-95-88-76-84(77-89(96-70-62-56-50-44-38-32-26-20-14-8-2)92(88)99-73-65-59-53-47-41-35-29-23-17-11-5)81-101-86-68-67-83(80-94)75-87(86)102-82-85-78-90(97-71-63-57-51-45-39-33-27-21-15-9-3)93(100-74-66-60-54-48-42-36-30-24-18-12-6)91(79-85)98-72-64-58-52-46-40-34-28-22-16-10-4/h67-68,75-79,94H,7-66,69-74,80-82H2,1-6H3
InChIKey NVUJFCDLNRFUQP-UHFFFAOYSA-N
Mol Weight 1426.3 g/mol
Molecular Formula C93H164O9
Exact Mass 1425.237537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hO4XgBmlHX
Name 3,4-BIS-[3',4',5'-TRIS-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYL-ALCOHOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C93H164O9
InChI InChI=1S/C93H164O9/c1-7-13-19-25-31-37-43-49-55-61-69-95-88-76-84(77-89(96-70-62-56-50-44-38-32-26-20-14-8-2)92(88)99-73-65-59-53-47-41-35-29-23-17-11-5)81-101-86-68-67-83(80-94)75-87(86)102-82-85-78-90(97-71-63-57-51-45-39-33-27-21-15-9-3)93(100-74-66-60-54-48-42-36-30-24-18-12-6)91(79-85)98-72-64-58-52-46-40-34-28-22-16-10-4/h67-68,75-79,94H,7-66,69-74,80-82H2,1-6H3
InChIKey NVUJFCDLNRFUQP-UHFFFAOYSA-N
Literature Reference Author V.PERCEC,W.D.CHO,G.UNGAR,D.J.P.YEARDLEY
Literature Reference Citation J.AM.CHEM.SOC.,123,1302(2001)
Literature Reference DOI 10.1021/ja0037771
Molecular Weight 1426.320 g/mol
Solvent CDCl3
Source File Reference UWSI23523