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(4-3,4,5-4)-12G1-CH2OH;4-[3',4',5'-TRIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID 1qKSsElfIZu
InChI InChI=1S/C71H104O8/c1-4-7-10-13-16-19-22-25-28-31-50-73-65-44-36-61(37-45-65)56-77-69-53-64(59-76-68-42-34-60(55-72)35-43-68)54-70(78-57-62-38-46-66(47-39-62)74-51-32-29-26-23-20-17-14-11-8-5-2)71(69)79-58-63-40-48-67(49-41-63)75-52-33-30-27-24-21-18-15-12-9-6-3/h34-49,53-54,72H,4-33,50-52,55-59H2,1-3H3
InChIKey XIBILWXWIGQOPB-UHFFFAOYSA-N
Mol Weight 1085.6 g/mol
Molecular Formula C71H104O8
Exact Mass 1084.77312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxAua7kkxl9
Name (4-3,4,5-4)-12G1-CH2OH;4-[3',4',5'-TRIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C71H104O8
InChI InChI=1S/C71H104O8/c1-4-7-10-13-16-19-22-25-28-31-50-73-65-44-36-61(37-45-65)56-77-69-53-64(59-76-68-42-34-60(55-72)35-43-68)54-70(78-57-62-38-46-66(47-39-62)74-51-32-29-26-23-20-17-14-11-8-5-2)71(69)79-58-63-40-48-67(49-41-63)75-52-33-30-27-24-21-18-15-12-9-6-3/h34-49,53-54,72H,4-33,50-52,55-59H2,1-3H3
InChIKey XIBILWXWIGQOPB-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 1085.602 g/mol
Sample ID 33192
Solvent CDCl3