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3,5-BIS-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYL-ALCOHOL
SpectraBase Compound ID Qwn9piZrbZ
InChI InChI=1S/C97H140O11/c1-5-9-13-17-21-25-29-33-37-41-65-99-88-55-45-81(46-56-88)75-105-94-63-53-85(71-96(94)107-77-83-49-59-90(60-50-83)101-67-43-39-35-31-27-23-19-15-11-7-3)79-103-92-69-87(74-98)70-93(73-92)104-80-86-54-64-95(106-76-82-47-57-89(58-48-82)100-66-42-38-34-30-26-22-18-14-10-6-2)97(72-86)108-78-84-51-61-91(62-52-84)102-68-44-40-36-32-28-24-20-16-12-8-4/h45-64,69-73,98H,5-44,65-68,74-80H2,1-4H3
InChIKey DKCXEFUICBQHIB-UHFFFAOYSA-N
Mol Weight 1482.2 g/mol
Molecular Formula C97H140O11
Exact Mass 1481.039565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZGWVcYMK9g
Name 3,5-BIS-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYL-ALCOHOL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C97H140O11
InChI InChI=1S/C97H140O11/c1-5-9-13-17-21-25-29-33-37-41-65-99-88-55-45-81(46-56-88)75-105-94-63-53-85(71-96(94)107-77-83-49-59-90(60-50-83)101-67-43-39-35-31-27-23-19-15-11-7-3)79-103-92-69-87(74-98)70-93(73-92)104-80-86-54-64-95(106-76-82-47-57-89(58-48-82)100-66-42-38-34-30-26-22-18-14-10-6-2)97(72-86)108-78-84-51-61-91(62-52-84)102-68-44-40-36-32-28-24-20-16-12-8-4/h45-64,69-73,98H,5-44,65-68,74-80H2,1-4H3
InChIKey DKCXEFUICBQHIB-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 1482.172 g/mol
Solvent CDCl3
Source File Reference UWSI23528