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#10;5,5'-BIS-[ETHYNYLPHENYL-4''-[4''',4'''-DIFLUORO-8'''-(1''',3''',5''',7'''-TETRAMETHYL-2''',6'''-DIETHYL-4'''-BORA-3'''A,4'''A-DIAZA-S-INDACENE)]]-2,2'-BIPYRIMIDINE
SpectraBase Compound ID G6Gz8uoA2YS
InChI InChI=1S/C58H56B2F4N8/c1-13-47-33(5)53-51(54-34(6)48(14-2)38(10)70(54)59(61,62)69(53)37(47)9)45-25-21-41(22-26-45)17-19-43-29-65-57(66-30-43)58-67-31-44(32-68-58)20-18-42-23-27-46(28-24-42)52-55-35(7)49(15-3)39(11)71(55)60(63,64)72-40(12)50(16-4)36(8)56(52)72/h21-32H,13-16H2,1-12H3
InChIKey HQEBSVQQGYMRAR-UHFFFAOYSA-N
Mol Weight 962.8 g/mol
Molecular Formula C58H56B2F4N8
Exact Mass 962.475017 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MDNwa74Gix
Name #10;5,5'-BIS-[ETHYNYLPHENYL-4''-[4''',4'''-DIFLUORO-8'''-(1''',3''',5''',7'''-TETRAMETHYL-2''',6'''-DIETHYL-4'''-BORA-3'''A,4'''A-DIAZA-S-INDACENE)]]-2,2'-BIPYRIMIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H56B2F4N8
InChI InChI=1S/C58H56B2F4N8/c1-13-47-33(5)53-51(54-34(6)48(14-2)38(10)70(54)59(61,62)69(53)37(47)9)45-25-21-41(22-26-45)17-19-43-29-65-57(66-30-43)58-67-31-44(32-68-58)20-18-42-23-27-46(28-24-42)52-55-35(7)49(15-3)39(11)71(55)60(63,64)72-40(12)50(16-4)36(8)56(52)72/h21-32H,13-16H2,1-12H3
InChIKey HQEBSVQQGYMRAR-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 UWVN21944