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5-[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 9aoqJUWEtLN
InChI InChI=1S/C35H33BF2N4/c1-7-29-22(3)34-33(35-23(4)30(8-2)25(6)42(35)36(37,38)41(34)24(29)5)28-17-14-26(15-18-28)12-13-27-16-19-32(40-21-27)31-11-9-10-20-39-31/h9-11,14-21H,7-8H2,1-6H3
InChIKey UZADARQYIFBQPQ-UHFFFAOYSA-N
Mol Weight 558.5 g/mol
Molecular Formula C35H33BF2N4
Exact Mass 558.276634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KALWHRY23r2
Name 5-[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
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H33BF2N4
InChI InChI=1S/C35H33BF2N4/c1-7-29-22(3)34-33(35-23(4)30(8-2)25(6)42(35)36(37,38)41(34)24(29)5)28-17-14-26(15-18-28)12-13-27-16-19-32(40-21-27)31-11-9-10-20-39-31/h9-11,14-21H,7-8H2,1-6H3
InChIKey UZADARQYIFBQPQ-UHFFFAOYSA-N
Literature Reference Author G.ULRICH,R.ZIESSEL
Literature Reference Citation J.ORG.CHEM.,69,2070(2004)
Literature Reference DOI 10.1021/jo035825g
Molecular Weight 558.481 g/mol
Solvent CDCl3
Source File Reference UWVN21941