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2-(CYCLOHEXYLAMINO)-1-(2-FLUOROPHENYL)-2-OXO-ETHYL-2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
SpectraBase Compound ID 7LtejAPXtFG
InChI InChI=1S/C27H32BF2NO5/c1-26(2)27(3,4)36-28(35-26)17-14-15-20(22(30)16-17)25(33)34-23(19-12-8-9-13-21(19)29)24(32)31-18-10-6-5-7-11-18/h8-9,12-16,18,23H,5-7,10-11H2,1-4H3,(H,31,32)
InChIKey DYIIASRLWVBJCT-UHFFFAOYSA-N
Mol Weight 499.4 g/mol
Molecular Formula C27H32BF2NO5
Exact Mass 499.23416 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44Wymm0p95I
Name 2-(CYCLOHEXYLAMINO)-1-(2-FLUOROPHENYL)-2-OXO-ETHYL-2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
Compound Number A9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32BF2NO5
InChI InChI=1S/C27H32BF2NO5/c1-26(2)27(3,4)36-28(35-26)17-14-15-20(22(30)16-17)25(33)34-23(19-12-8-9-13-21(19)29)24(32)31-18-10-6-5-7-11-18/h8-9,12-16,18,23H,5-7,10-11H2,1-4H3,(H,31,32)
InChIKey DYIIASRLWVBJCT-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 UWIR9070