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#17;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';6':2''-TERPYRIDIN
SpectraBase Compound ID 5Q0xp048MDp
InChI InChI=1S/C65H61B2F4N7/c1-13-52-38(5)62-60(63-39(6)53(14-2)43(10)76(63)66(68,69)75(62)42(52)9)50-30-24-46(25-31-50)20-22-48-28-34-56(72-36-48)58-18-17-19-59(74-58)57-35-29-49(37-73-57)23-21-47-26-32-51(33-27-47)61-64-40(7)54(15-3)44(11)77(64)67(70,71)78-45(12)55(16-4)41(8)65(61)78/h17-19,24-37H,13-16H2,1-12H3
InChIKey ZOMXKHFOTYXLOD-UHFFFAOYSA-N
Mol Weight 1037.9 g/mol
Molecular Formula C65H61B2F4N7
Exact Mass 1037.511068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Af96kFUJXww
Name #17;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';6':2''-TERPYRIDIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H61B2F4N7
InChI InChI=1S/C65H61B2F4N7/c1-13-52-38(5)62-60(63-39(6)53(14-2)43(10)76(63)66(68,69)75(62)42(52)9)50-30-24-46(25-31-50)20-22-48-28-34-56(72-36-48)58-18-17-19-59(74-58)57-35-29-49(37-73-57)23-21-47-26-32-51(33-27-47)61-64-40(7)54(15-3)44(11)77(64)67(70,71)78-45(12)55(16-4)41(8)65(61)78/h17-19,24-37H,13-16H2,1-12H3
InChIKey ZOMXKHFOTYXLOD-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 1037.860 g/mol
Solvent CDCl3
Source File Reference UWVN21952