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2-(CYCLOHEXYLAMINO)-2-OXO-1-(PYRIDIN-3-YL)-ETHYL-2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
SpectraBase Compound ID 1dDMndupFWK
InChI InChI=1S/C26H32BFN2O5/c1-25(2)26(3,4)35-27(34-25)18-12-13-20(21(28)15-18)24(32)33-22(17-9-8-14-29-16-17)23(31)30-19-10-6-5-7-11-19/h8-9,12-16,19,22H,5-7,10-11H2,1-4H3,(H,30,31)
InChIKey KMBRLOLWICAJDR-UHFFFAOYSA-N
Mol Weight 482.4 g/mol
Molecular Formula C26H32BFN2O5
Exact Mass 482.23883 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWfwE1d4oRM
Name 2-(CYCLOHEXYLAMINO)-2-OXO-1-(PYRIDIN-3-YL)-ETHYL-2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
Compound Number A18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32BFN2O5
InChI InChI=1S/C26H32BFN2O5/c1-25(2)26(3,4)35-27(34-25)18-12-13-20(21(28)15-18)24(32)33-22(17-9-8-14-29-16-17)23(31)30-19-10-6-5-7-11-19/h8-9,12-16,19,22H,5-7,10-11H2,1-4H3,(H,30,31)
InChIKey KMBRLOLWICAJDR-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 UWIR9079