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#9;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'-BIPYRIDINE
SpectraBase Compound ID 4fH383w1DhY
InChI InChI=1S/C60H58B2F4N6/c1-13-49-35(5)57-55(58-36(6)50(14-2)40(10)70(58)61(63,64)69(57)39(49)9)47-27-21-43(22-28-47)17-19-45-25-31-53(67-33-45)54-32-26-46(34-68-54)20-18-44-23-29-48(30-24-44)56-59-37(7)51(15-3)41(11)71(59)62(65,66)72-42(12)52(16-4)38(8)60(56)72/h21-34H,13-16H2,1-12H3
InChIKey JIBLXAZGDQURDL-UHFFFAOYSA-N
Mol Weight 960.8 g/mol
Molecular Formula C60H58B2F4N6
Exact Mass 960.484519 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mQkAMyT9Ww
Name #9;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'-BIPYRIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H58B2F4N6
InChI InChI=1S/C60H58B2F4N6/c1-13-49-35(5)57-55(58-36(6)50(14-2)40(10)70(58)61(63,64)69(57)39(49)9)47-27-21-43(22-28-47)17-19-45-25-31-53(67-33-45)54-32-26-46(34-68-54)20-18-44-23-29-48(30-24-44)56-59-37(7)51(15-3)41(11)71(59)62(65,66)72-42(12)52(16-4)38(8)60(56)72/h21-34H,13-16H2,1-12H3
InChIKey JIBLXAZGDQURDL-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 UWVN21943