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[4-3,4-4]-12G1-CO2CH3;METHYL-4-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID D6m9qdVsWPC
InChI InChI=1S/C53H74O7/c1-4-6-8-10-12-14-16-18-20-22-38-56-48-31-24-44(25-32-48)41-59-51-37-28-46(43-58-50-35-29-47(30-36-50)53(54)55-3)40-52(51)60-42-45-26-33-49(34-27-45)57-39-23-21-19-17-15-13-11-9-7-5-2/h24-37,40H,4-23,38-39,41-43H2,1-3H3
InChIKey OLWZKHZFKSIVPN-UHFFFAOYSA-N
Mol Weight 823.2 g/mol
Molecular Formula C53H74O7
Exact Mass 822.543455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kUuJX5HUdi
Name [4-3,4-4]-12G1-CO2CH3;METHYL-4-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H74O7
InChI InChI=1S/C53H74O7/c1-4-6-8-10-12-14-16-18-20-22-38-56-48-31-24-44(25-32-48)41-59-51-37-28-46(43-58-50-35-29-47(30-36-50)53(54)55-3)40-52(51)60-42-45-26-33-49(34-27-45)57-39-23-21-19-17-15-13-11-9-7-5-2/h24-37,40H,4-23,38-39,41-43H2,1-3H3
InChIKey OLWZKHZFKSIVPN-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 823.166 g/mol
Sample ID 33202
Solvent CDCl3