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[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ANILINE]-GOSSYPOL
SpectraBase Compound ID 7MDfrvlRjaW
InChI InChI=1S/C54H62B2N2O10/c1-27(2)39-35-23-29(5)41(47(61)43(35)37(45(59)49(39)63)25-57-33-19-15-31(16-20-33)55-65-51(7,8)52(9,10)66-55)42-30(6)24-36-40(28(3)4)50(64)46(60)38(44(36)48(42)62)26-58-34-21-17-32(18-22-34)56-67-53(11,12)54(13,14)68-56/h15-28,57-58,61-64H,1-14H3/b37-25-,38-26-
InChIKey VXNOGUWTGKFUHJ-MEDPLMNLSA-N
Mol Weight 920.7 g/mol
Molecular Formula C54H62B2N2O10
Exact Mass 920.459057 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHA3U74FjWY
Name [4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ANILINE]-GOSSYPOL
Compound Number S6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H62B2N2O10
InChI InChI=1S/C54H62B2N2O10/c1-27(2)39-35-23-29(5)41(47(61)43(35)37(45(59)49(39)63)25-57-33-19-15-31(16-20-33)55-65-51(7,8)52(9,10)66-55)42-30(6)24-36-40(28(3)4)50(64)46(60)38(44(36)48(42)62)26-58-34-21-17-32(18-22-34)56-67-53(11,12)54(13,14)68-56/h15-28,57-58,61-64H,1-14H3/b37-25-,38-26-
InChIKey VXNOGUWTGKFUHJ-MEDPLMNLSA-N
Literature Reference Author P.PRZYBYLSKI,W.SCHILF,B.KAMIENSKI,B.BRZEZINSKI,F.BARTL
Literature Reference Citation MAGN.RES.CHEM.,46,534(2008)
Literature Reference DOI 10.1002/mrc.2210
Solvent DMSO-D6
Source File Reference UWLU82521