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[4-(2)-3,4]-12G1-CH2OH;3,4-BIS-[4'-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID EG6oX7XEOMD
InChI InChI=1S/C59H80O7/c1-3-5-7-9-11-13-15-17-19-21-41-61-54-32-23-49(24-33-54)45-63-56-36-27-51(28-37-56)47-65-58-40-31-53(44-60)43-59(58)66-48-52-29-38-57(39-30-52)64-46-50-25-34-55(35-26-50)62-42-22-20-18-16-14-12-10-8-6-4-2/h23-40,43,60H,3-22,41-42,44-48H2,1-2H3
InChIKey HHWBAZPEIBCVHR-UHFFFAOYSA-N
Mol Weight 901.3 g/mol
Molecular Formula C59H80O7
Exact Mass 900.590405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GW1F7zjkm4l
Name [4-(2)-3,4]-12G1-CH2OH;3,4-BIS-[4'-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H80O7
InChI InChI=1S/C59H80O7/c1-3-5-7-9-11-13-15-17-19-21-41-61-54-32-23-49(24-33-54)45-63-56-36-27-51(28-37-56)47-65-58-40-31-53(44-60)43-59(58)66-48-52-29-38-57(39-30-52)64-46-50-25-34-55(35-26-50)62-42-22-20-18-16-14-12-10-8-6-4-2/h23-40,43,60H,3-22,41-42,44-48H2,1-2H3
InChIKey HHWBAZPEIBCVHR-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 901.280 g/mol
Sample ID 33209
Solvent CDCl3