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2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-PYRAZINE-2-CARBOXYLATE
SpectraBase Compound ID 1XQFjyZEsXx
InChI InChI=1S/C25H32BN3O5/c1-24(2)25(3,4)34-26(33-24)18-12-10-17(11-13-18)21(22(30)29-19-8-6-5-7-9-19)32-23(31)20-16-27-14-15-28-20/h10-16,19,21H,5-9H2,1-4H3,(H,29,30)
InChIKey VOHULXMVQWLILB-UHFFFAOYSA-N
Mol Weight 465.4 g/mol
Molecular Formula C25H32BN3O5
Exact Mass 465.243501 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeN4YMjkKCc
Name 2-(CYCLOHEXYLAMINO)-2-OXO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-ETHYL-PYRAZINE-2-CARBOXYLATE
Compound Number B11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32BN3O5
InChI InChI=1S/C25H32BN3O5/c1-24(2)25(3,4)34-26(33-24)18-12-10-17(11-13-18)21(22(30)29-19-8-6-5-7-9-19)32-23(31)20-16-27-14-15-28-20/h10-16,19,21H,5-9H2,1-4H3,(H,29,30)
InChIKey VOHULXMVQWLILB-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 UWIR9092