John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BEFWGPFogML SpectraBase Spectrum ID=29fErJ4UVQp

(accessed ).
[4-3,4,5-4-(3)]-12G1-CH2OH;4-[4'-[4''-[3''',4''',5'''-TRIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID BEFWGPFogML
InChI InChI=1S/C85H116O10/c1-4-7-10-13-16-19-22-25-28-31-58-87-77-48-36-73(37-49-77)66-93-83-61-76(69-92-82-56-44-72(45-57-82)65-91-81-54-42-71(43-55-81)64-90-80-46-34-70(63-86)35-47-80)62-84(94-67-74-38-50-78(51-39-74)88-59-32-29-26-23-20-17-14-11-8-5-2)85(83)95-68-75-40-52-79(53-41-75)89-60-33-30-27-24-21-18-15-12-9-6-3/h34-57,61-62,86H,4-33,58-60,63-69H2,1-3H3
InChIKey LUXWHFQOBPCTCF-UHFFFAOYSA-N
Mol Weight 1297.9 g/mol
Molecular Formula C85H116O10
Exact Mass 1296.856851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29fErJ4UVQp
Name [4-3,4,5-4-(3)]-12G1-CH2OH;4-[4'-[4''-[3''',4''',5'''-TRIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C85H116O10
InChI InChI=1S/C85H116O10/c1-4-7-10-13-16-19-22-25-28-31-58-87-77-48-36-73(37-49-77)66-93-83-61-76(69-92-82-56-44-72(45-57-82)65-91-81-54-42-71(43-55-81)64-90-80-46-34-70(63-86)35-47-80)62-84(94-67-74-38-50-78(51-39-74)88-59-32-29-26-23-20-17-14-11-8-5-2)85(83)95-68-75-40-52-79(53-41-75)89-60-33-30-27-24-21-18-15-12-9-6-3/h34-57,61-62,86H,4-33,58-60,63-69H2,1-3H3
InChIKey LUXWHFQOBPCTCF-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 1297.850 g/mol
Sample ID 33196
Solvent CDCl3
SpectraBase Batch ID 2J8wZCau3iM