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[4-(2)]-CO2CH3;METHYL-4-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZOATE
SpectraBase Compound ID 4Cco5jmROAU
InChI InChI=1S/C27H38O4/c1-3-4-5-6-7-8-9-10-11-12-21-30-25-17-13-23(14-18-25)22-31-26-19-15-24(16-20-26)27(28)29-2/h13-20H,3-12,21-22H2,1-2H3
InChIKey IYADWQVFBVNACW-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdpcYMwyW7Y
Name [4-(2)]-CO2CH3;METHYL-4-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-3-4-5-6-7-8-9-10-11-12-21-30-25-17-13-23(14-18-25)22-31-26-19-15-24(16-20-26)27(28)29-2/h13-20H,3-12,21-22H2,1-2H3
InChIKey IYADWQVFBVNACW-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 426.596 g/mol
Sample ID 33187
Solvent CDCl3