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TRI-(4-TERT.-OCTYLPHENOXY)-PENTAERYTHRITYL-4-[4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL]-BENZOATE
SpectraBase Compound ID Fn4diBTyvZR
InChI InChI=1S/C60H87BO7/c1-52(2,3)36-55(10,11)44-22-30-48(31-23-44)63-39-60(40-64-49-32-24-45(25-33-49)56(12,13)37-53(4,5)6,41-65-50-34-26-46(27-35-50)57(14,15)38-54(7,8)9)42-66-51(62)43-20-28-47(29-21-43)61-67-58(16,17)59(18,19)68-61/h20-35H,36-42H2,1-19H3
InChIKey JEOUHVJBIAWAHM-UHFFFAOYSA-N
Mol Weight 931.2 g/mol
Molecular Formula C60H87BO7
Exact Mass 930.654485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENsqdTk9LFv
Name TRI-(4-TERT.-OCTYLPHENOXY)-PENTAERYTHRITYL-4-[4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL]-BENZOATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H87BO7
InChI InChI=1S/C60H87BO7/c1-52(2,3)36-55(10,11)44-22-30-48(31-23-44)63-39-60(40-64-49-32-24-45(25-33-49)56(12,13)37-53(4,5)6,41-65-50-34-26-46(27-35-50)57(14,15)38-54(7,8)9)42-66-51(62)43-20-28-47(29-21-43)61-67-58(16,17)59(18,19)68-61/h20-35H,36-42H2,1-19H3
InChIKey JEOUHVJBIAWAHM-UHFFFAOYSA-N
Literature Reference Author S.P.DRAFFIN,P.J.DUGGAN,S.A.M.DUGGAN
Literature Reference Citation ORG.LETTERS,3,917(2001)
Literature Reference DOI 10.1021/ol015560x
Molecular Weight 931.157 g/mol
Solvent CDCl3
Source File Reference UWLU33756