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2-(CYCLOHEXYLAMINO)-1-(2-METHOXYPHENYL)-2-OXO-ETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
SpectraBase Compound ID nGdjQ47hSp
InChI InChI=1S/C28H36BNO6/c1-27(2)28(3,4)36-29(35-27)20-17-15-19(16-18-20)26(32)34-24(22-13-9-10-14-23(22)33-5)25(31)30-21-11-7-6-8-12-21/h9-10,13-18,21,24H,6-8,11-12H2,1-5H3,(H,30,31)
InChIKey DSKMROMCDCPKCT-UHFFFAOYSA-N
Mol Weight 493.4 g/mol
Molecular Formula C28H36BNO6
Exact Mass 493.263568 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtXTchZbJsG
Name 2-(CYCLOHEXYLAMINO)-1-(2-METHOXYPHENYL)-2-OXO-ETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
Compound Number A13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36BNO6
InChI InChI=1S/C28H36BNO6/c1-27(2)28(3,4)36-29(35-27)20-17-15-19(16-18-20)26(32)34-24(22-13-9-10-14-23(22)33-5)25(31)30-21-11-7-6-8-12-21/h9-10,13-18,21,24H,6-8,11-12H2,1-5H3,(H,30,31)
InChIKey DSKMROMCDCPKCT-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 UWIR9074