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2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-4-NITRO-BENZOATE
SpectraBase Compound ID Ab7i29cvxeY
InChI InChI=1S/C27H33BN2O7/c1-26(2)27(3,4)37-28(36-26)20-14-10-18(11-15-20)23(24(31)29-21-8-6-5-7-9-21)35-25(32)19-12-16-22(17-13-19)30(33)34/h10-17,21,23H,5-9H2,1-4H3,(H,29,31)
InChIKey HZZPOLLATUJCQO-UHFFFAOYSA-N
Mol Weight 508.4 g/mol
Molecular Formula C27H33BN2O7
Exact Mass 508.238082 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lme16RCOdmy
Name 2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-4-NITRO-BENZOATE
Compound Number B3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33BN2O7
InChI InChI=1S/C27H33BN2O7/c1-26(2)27(3,4)37-28(36-26)20-14-10-18(11-15-20)23(24(31)29-21-8-6-5-7-9-21)35-25(32)19-12-16-22(17-13-19)30(33)34/h10-17,21,23H,5-9H2,1-4H3,(H,29,31)
InChIKey HZZPOLLATUJCQO-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 UWIR9084