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#11;6,6'-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'-BIPYRIMIDINE
SpectraBase Compound ID 4EirFbhZ1vN
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)45-29-23-43(24-30-45)27-33-47-19-17-21-53(67-47)54-22-18-20-48(68-54)34-28-44-25-31-46(32-26-44)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/h17-26,29-32H,13-16H2,1-12H3
InChIKey UPVIMYZOHWCSAN-UHFFFAOYSA-N
Mol Weight 960.8 g/mol
Molecular Formula C60H58B2F4N6
Exact Mass 960.484519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpCe14sscK7
Name #11;6,6'-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'-BIPYRIMIDINE
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)45-29-23-43(24-30-45)27-33-47-19-17-21-53(67-47)54-22-18-20-48(68-54)34-28-44-25-31-46(32-26-44)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/h17-26,29-32H,13-16H2,1-12H3
InChIKey UPVIMYZOHWCSAN-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 960.774 g/mol
Solvent CDCl3
Source File Reference UWVN21945