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(4-TERT.-OCTYLPHENOXY)-PENTAERYTHRITYL-TRI-[OXYCARBONYL-4-[4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL]-BENZENE]
SpectraBase Compound ID Ih8zwPveF0Z
InChI InChI=1S/C58H77B3O13/c1-50(2,3)34-51(4,5)42-24-32-46(33-25-42)65-35-58(36-66-47(62)39-18-26-43(27-19-39)59-69-52(6,7)53(8,9)70-59,37-67-48(63)40-20-28-44(29-21-40)60-71-54(10,11)55(12,13)72-60)38-68-49(64)41-22-30-45(31-23-41)61-73-56(14,15)57(16,17)74-61/h18-33H,34-38H2,1-17H3
InChIKey CTUSGRZBKXCKRJ-UHFFFAOYSA-N
Mol Weight 1014.7 g/mol
Molecular Formula C58H77B3O13
Exact Mass 1014.564333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lus2uWAzX62
Name (4-TERT.-OCTYLPHENOXY)-PENTAERYTHRITYL-TRI-[OXYCARBONYL-4-[4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL]-BENZENE]
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H77B3O13
InChI InChI=1S/C58H77B3O13/c1-50(2,3)34-51(4,5)42-24-32-46(33-25-42)65-35-58(36-66-47(62)39-18-26-43(27-19-39)59-69-52(6,7)53(8,9)70-59,37-67-48(63)40-20-28-44(29-21-40)60-71-54(10,11)55(12,13)72-60)38-68-49(64)41-22-30-45(31-23-41)61-73-56(14,15)57(16,17)74-61/h18-33H,34-38H2,1-17H3
InChIKey CTUSGRZBKXCKRJ-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 1014.672 g/mol
Solvent CDCl3
Source File Reference UWLU33761