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3,8-BIS-[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 6mnzuSzrBf2
InChI InChI=1S/C62H58B2F4N6/c1-13-51-35(5)59-55(60-36(6)52(14-2)40(10)72(60)63(65,66)71(59)39(51)9)47-25-21-43(22-26-47)17-19-45-31-49-29-30-50-32-46(34-70-58(50)57(49)69-33-45)20-18-44-23-27-48(28-24-44)56-61-37(7)53(15-3)41(11)73(61)64(67,68)74-42(12)54(16-4)38(8)62(56)74/h21-34H,13-16H2,1-12H3
InChIKey MDAJGPSCTJLWKV-UHFFFAOYSA-N
Mol Weight 984.8 g/mol
Molecular Formula C62H58B2F4N6
Exact Mass 984.484519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ddwx8vqKQ1
Name 3,8-BIS-[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 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H58B2F4N6
InChI InChI=1S/C62H58B2F4N6/c1-13-51-35(5)59-55(60-36(6)52(14-2)40(10)72(60)63(65,66)71(59)39(51)9)47-25-21-43(22-26-47)17-19-45-31-49-29-30-50-32-46(34-70-58(50)57(49)69-33-45)20-18-44-23-27-48(28-24-44)56-61-37(7)53(15-3)41(11)73(61)64(67,68)74-42(12)54(16-4)38(8)62(56)74/h21-34H,13-16H2,1-12H3
InChIKey MDAJGPSCTJLWKV-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 984.796 g/mol
Solvent CDCl3
Source File Reference UWVN21949