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(4-3,4,5-4)-12G1-CO2CH3;METHYL-4-[3',4',5'-TRIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
SpectraBase Compound ID 1xhdIi3Kfy6
InChI InChI=1S/C72H104O9/c1-5-8-11-14-17-20-23-26-29-32-51-75-65-43-35-60(36-44-65)56-79-69-54-63(59-78-68-49-41-64(42-50-68)72(73)74-4)55-70(80-57-61-37-45-66(46-38-61)76-52-33-30-27-24-21-18-15-12-9-6-2)71(69)81-58-62-39-47-67(48-40-62)77-53-34-31-28-25-22-19-16-13-10-7-3/h35-50,54-55H,5-34,51-53,56-59H2,1-4H3
InChIKey WYAQNKQYUPAZMO-UHFFFAOYSA-N
Mol Weight 1113.6 g/mol
Molecular Formula C72H104O9
Exact Mass 1112.768035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1U8eGF9Smpk
Name (4-3,4,5-4)-12G1-CO2CH3;METHYL-4-[3',4',5'-TRIS-[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 C72H104O9
InChI InChI=1S/C72H104O9/c1-5-8-11-14-17-20-23-26-29-32-51-75-65-43-35-60(36-44-65)56-79-69-54-63(59-78-68-49-41-64(42-50-68)72(73)74-4)55-70(80-57-61-37-45-66(46-38-61)76-52-33-30-27-24-21-18-15-12-9-6-2)71(69)81-58-62-39-47-67(48-40-62)77-53-34-31-28-25-22-19-16-13-10-7-3/h35-50,54-55H,5-34,51-53,56-59H2,1-4H3
InChIKey WYAQNKQYUPAZMO-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 1113.612 g/mol
Sample ID 33191
Solvent CDCl3