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2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-BENZOATE

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2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-BENZOATE
SpectraBase Compound ID Iu0EVQiaWXs
InChI InChI=1S/C27H34BNO5/c1-26(2)27(3,4)34-28(33-26)21-17-15-19(16-18-21)23(24(30)29-22-13-9-6-10-14-22)32-25(31)20-11-7-5-8-12-20/h5,7-8,11-12,15-18,22-23H,6,9-10,13-14H2,1-4H3,(H,29,30)
InChIKey PDOUMJRDFVLLRW-UHFFFAOYSA-N
Mol Weight 463.4 g/mol
Molecular Formula C27H34BNO5
Exact Mass 463.253003 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lud3NxtuBYW
Name 2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-BENZOATE
Compound Number B1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34BNO5
InChI InChI=1S/C27H34BNO5/c1-26(2)27(3,4)34-28(33-26)21-17-15-19(16-18-21)23(24(30)29-22-13-9-6-10-14-22)32-25(31)20-11-7-5-8-12-20/h5,7-8,11-12,15-18,22-23H,6,9-10,13-14H2,1-4H3,(H,29,30)
InChIKey PDOUMJRDFVLLRW-UHFFFAOYSA-N
Literature Reference Author C.C.CHAI,P.Y.LIU,C.H.LIN,H.C.CHEN,Y.C.WU,F.R.CHANG,P.S.PAN
Literature Reference Citation MOLECULES,18,9488(2013)
Literature Reference DOI 10.3390/molecules18089488
Solvent CDCl3
Source File Reference UWIR9082