John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=B58ohmt0JZH SpectraBase Spectrum ID=1i0fAfJkEDj

(accessed ).
1,4-BIS-[PHENYL-4'-[4'',4''-DIFLUORO-8''-(1'',3'',5'',7''-TETRAMETHYL-2',6'-DIETHYL-4'-BORA-3'A,4'A-DIAZA-S-INDACENE)]]-BUTADYINE
SpectraBase Compound ID B58ohmt0JZH
InChI InChI=1S/C50H52B2F4N4/c1-13-41-29(5)47(57-33(41)9)45(49-31(7)43(15-3)35(11)59(49)51(53)54)39-25-21-37(22-26-39)19-17-18-20-38-23-27-40(28-24-38)46(48-30(6)42(14-2)34(10)58-48)50-32(8)44(16-4)36(12)60(50)52(55)56/h21-28H,13-16H2,1-12H3/b47-45-,48-46-
InChIKey BNKFGAXKEDBBSK-NTMZJGNDSA-N
Mol Weight 806.6 g/mol
Molecular Formula C50H52B2F4N4
Exact Mass 806.431422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1i0fAfJkEDj
Name 1,4-BIS-[PHENYL-4'-[4'',4''-DIFLUORO-8''-(1'',3'',5'',7''-TETRAMETHYL-2',6'-DIETHYL-4'-BORA-3'A,4'A-DIAZA-S-INDACENE)]]-BUTADYINE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H52B2F4N4
InChI InChI=1S/C50H52B2F4N4/c1-13-41-29(5)47(57-33(41)9)45(49-31(7)43(15-3)35(11)59(49)51(53)54)39-25-21-37(22-26-39)19-17-18-20-38-23-27-40(28-24-38)46(48-30(6)42(14-2)34(10)58-48)50-32(8)44(16-4)36(12)60(50)52(55)56/h21-28H,13-16H2,1-12H3/b47-45-,48-46-
InChIKey BNKFGAXKEDBBSK-NTMZJGNDSA-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 806.603 g/mol
Solvent CDCl3
Source File Reference UWVN21951
SpectraBase Batch ID 1OXqjJDKhic