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3-BROMO-8-[ETHYNYLPHENYL-4'-[4'',4''-DIFLUORO-8''-(1'',3'',5'',7''-TETRAMETHYL-2'',6''-DIETHYL-4''-BORA-3''A,4''A-DIAZA-S-INDACENE)]]-1,10-PHENANTROLINE
SpectraBase Compound ID KvqclFw0p1l
InChI InChI=1S/C37H32BBrF2N4/c1-7-31-21(3)36-33(37-22(4)32(8-2)24(6)45(37)38(40,41)44(36)23(31)5)27-13-11-25(12-14-27)9-10-26-17-28-15-16-29-18-30(39)20-43-35(29)34(28)42-19-26/h11-20H,7-8H2,1-6H3
InChIKey CTQRXZKRAABWIB-UHFFFAOYSA-N
Mol Weight 661.4 g/mol
Molecular Formula C37H32BBrF2N4
Exact Mass 660.187147 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8M4txrvthhe
Name 3-BROMO-8-[ETHYNYLPHENYL-4'-[4'',4''-DIFLUORO-8''-(1'',3'',5'',7''-TETRAMETHYL-2'',6''-DIETHYL-4''-BORA-3''A,4''A-DIAZA-S-INDACENE)]]-1,10-PHENANTROLINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H32BBrF2N4
InChI InChI=1S/C37H32BBrF2N4/c1-7-31-21(3)36-33(37-22(4)32(8-2)24(6)45(37)38(40,41)44(36)23(31)5)27-13-11-25(12-14-27)9-10-26-17-28-15-16-29-18-30(39)20-43-35(29)34(28)42-19-26/h11-20H,7-8H2,1-6H3
InChIKey CTQRXZKRAABWIB-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 UWVN21950