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2-(CYCLOHEXYLAMINO)-1-(2-FLUOROPHENYL)-2-OXO-ETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
SpectraBase Compound ID 2rc7K4N4Xhz
InChI InChI=1S/C27H33BFNO5/c1-26(2)27(3,4)35-28(34-26)19-16-14-18(15-17-19)25(32)33-23(21-12-8-9-13-22(21)29)24(31)30-20-10-6-5-7-11-20/h8-9,12-17,20,23H,5-7,10-11H2,1-4H3,(H,30,31)
InChIKey NYAYQVYWGYOEEF-UHFFFAOYSA-N
Mol Weight 481.4 g/mol
Molecular Formula C27H33BFNO5
Exact Mass 481.243581 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0sQQAuoRzV
Name 2-(CYCLOHEXYLAMINO)-1-(2-FLUOROPHENYL)-2-OXO-ETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
Compound Number A7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33BFNO5
InChI InChI=1S/C27H33BFNO5/c1-26(2)27(3,4)35-28(34-26)19-16-14-18(15-17-19)25(32)33-23(21-12-8-9-13-22(21)29)24(31)30-20-10-6-5-7-11-20/h8-9,12-17,20,23H,5-7,10-11H2,1-4H3,(H,30,31)
InChIKey NYAYQVYWGYOEEF-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 UWIR9068