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[4-(2)-3,4,5-4]-12G1-CH2OH;4-[3',4',5'-TRIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
SpectraBase Compound ID KGwBnLzrQQq
InChI InChI=1S/C92H122O11/c1-4-7-10-13-16-19-22-25-28-31-62-94-83-50-36-76(37-51-83)68-97-87-56-42-79(43-57-87)71-101-90-65-82(74-100-86-48-34-75(67-93)35-49-86)66-91(102-72-80-44-58-88(59-45-80)98-69-77-38-52-84(53-39-77)95-63-32-29-26-23-20-17-14-11-8-5-2)92(90)103-73-81-46-60-89(61-47-81)99-70-78-40-54-85(55-41-78)96-64-33-30-27-24-21-18-15-12-9-6-3/h34-61,65-66,93H,4-33,62-64,67-74H2,1-3H3
InChIKey FHECBIBDNKGZEF-UHFFFAOYSA-N
Mol Weight 1404.0 g/mol
Molecular Formula C92H122O11
Exact Mass 1402.898715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XrppkJjRJm
Name [4-(2)-3,4,5-4]-12G1-CH2OH;4-[3',4',5'-TRIS-[4''-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZYLOXY]-BENZYLALCOHOL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C92H122O11
InChI InChI=1S/C92H122O11/c1-4-7-10-13-16-19-22-25-28-31-62-94-83-50-36-76(37-51-83)68-97-87-56-42-79(43-57-87)71-101-90-65-82(74-100-86-48-34-75(67-93)35-49-86)66-91(102-72-80-44-58-88(59-45-80)98-69-77-38-52-84(53-39-77)95-63-32-29-26-23-20-17-14-11-8-5-2)92(90)103-73-81-46-60-89(61-47-81)99-70-78-40-54-85(55-41-78)96-64-33-30-27-24-21-18-15-12-9-6-3/h34-61,65-66,93H,4-33,62-64,67-74H2,1-3H3
InChIKey FHECBIBDNKGZEF-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 1403.974 g/mol
Sample ID 33200
Solvent CDCl3