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[4-(3)]-CO2CH3;METHYL-4-[4'-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID BrF07MwdLcn
InChI InChI=1S/C34H44O5/c1-3-4-5-6-7-8-9-10-11-12-25-37-31-19-13-28(14-20-31)26-38-32-21-15-29(16-22-32)27-39-33-23-17-30(18-24-33)34(35)36-2/h13-24H,3-12,25-27H2,1-2H3
InChIKey AGKURRYYWXYNAS-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C34H44O5
Exact Mass 532.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bvh7lq1rzgv
Name [4-(3)]-CO2CH3;METHYL-4-[4'-[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 C34H44O5
InChI InChI=1S/C34H44O5/c1-3-4-5-6-7-8-9-10-11-12-25-37-31-19-13-28(14-20-31)26-38-32-21-15-29(16-22-32)27-39-33-23-17-30(18-24-33)34(35)36-2/h13-24H,3-12,25-27H2,1-2H3
InChIKey AGKURRYYWXYNAS-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 532.720 g/mol
Sample ID 33189
Solvent CDCl3