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4,4-DIFLUORO-8-(5''-METHYL-2',2''-BIPYRIDIN-5'-YL)-1,3,5,7-TETRAMETHYL-2,6-DIETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
SpectraBase Compound ID 3PxuamIpHGn
InChI InChI=1S/C28H31BF2N4/c1-8-22-17(4)27-26(21-11-13-25(33-15-21)24-12-10-16(3)14-32-24)28-18(5)23(9-2)20(7)35(28)29(30,31)34(27)19(22)6/h10-15H,8-9H2,1-7H3
InChIKey HBOOSRITCFVZCT-UHFFFAOYSA-N
Mol Weight 472.4 g/mol
Molecular Formula C28H31BF2N4
Exact Mass 472.260984 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97z7f28wyIw
Name 4,4-DIFLUORO-8-(5''-METHYL-2',2''-BIPYRIDIN-5'-YL)-1,3,5,7-TETRAMETHYL-2,6-DIETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31BF2N4
InChI InChI=1S/C28H31BF2N4/c1-8-22-17(4)27-26(21-11-13-25(33-15-21)24-12-10-16(3)14-32-24)28-18(5)23(9-2)20(7)35(28)29(30,31)34(27)19(22)6/h10-15H,8-9H2,1-7H3
InChIKey HBOOSRITCFVZCT-UHFFFAOYSA-N
Literature Reference Author G.ULRICH,R.ZIESSEL
Literature Reference Citation J.ORG.CHEM.,69,2070(2004)
Literature Reference DOI 10.1021/jo035825g
Solvent CDCl3
Source File Reference UWVN21938