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

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2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(TRIFLUOROMETHYL)-PHENYL]-ETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
SpectraBase Compound ID FKoB3uwbrUq
InChI InChI=1S/C28H33BF3NO5/c1-26(2)27(3,4)38-29(37-26)21-16-12-19(13-17-21)25(35)36-23(24(34)33-22-8-6-5-7-9-22)18-10-14-20(15-11-18)28(30,31)32/h10-17,22-23H,5-9H2,1-4H3,(H,33,34)
InChIKey IAZAAMFDOCATIX-UHFFFAOYSA-N
Mol Weight 531.4 g/mol
Molecular Formula C28H33BF3NO5
Exact Mass 531.240388 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqgakoyD8Yt
Name 2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(TRIFLUOROMETHYL)-PHENYL]-ETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
Compound Number A4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33BF3NO5
InChI InChI=1S/C28H33BF3NO5/c1-26(2)27(3,4)38-29(37-26)21-16-12-19(13-17-21)25(35)36-23(24(34)33-22-8-6-5-7-9-22)18-10-14-20(15-11-18)28(30,31)32/h10-17,22-23H,5-9H2,1-4H3,(H,33,34)
InChIKey IAZAAMFDOCATIX-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 UWIR9065