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4,4-BIS-[4'-(2,2':6',2''-TERPYRIDINYL)-ETHYNYL]-1,3,5,7,8-PENTAMETHYL-2,4-DIETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
SpectraBase Compound ID 2H7oYb8cmjD
InChI InChI=1S/C52H45BN8/c1-8-41-34(3)51-36(5)52-35(4)42(9-2)38(7)61(52)53(60(51)37(41)6,24-22-39-30-47(43-18-10-14-26-54-43)58-48(31-39)44-19-11-15-27-55-44)25-23-40-32-49(45-20-12-16-28-56-45)59-50(33-40)46-21-13-17-29-57-46/h10-21,26-33H,8-9H2,1-7H3
InChIKey SPMKBPYYEMCPSF-UHFFFAOYSA-N
Mol Weight 792.8 g/mol
Molecular Formula C52H45BN8
Exact Mass 792.386024 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhI1YH8daZI
Name 4,4-BIS-[4'-(2,2':6',2''-TERPYRIDINYL)-ETHYNYL]-1,3,5,7,8-PENTAMETHYL-2,4-DIETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H45BN8
InChI InChI=1S/C52H45BN8/c1-8-41-34(3)51-36(5)52-35(4)42(9-2)38(7)61(52)53(60(51)37(41)6,24-22-39-30-47(43-18-10-14-26-54-43)58-48(31-39)44-19-11-15-27-55-44)25-23-40-32-49(45-20-12-16-28-56-45)59-50(33-40)46-21-13-17-29-57-46/h10-21,26-33H,8-9H2,1-7H3
InChIKey SPMKBPYYEMCPSF-UHFFFAOYSA-N
Literature Reference Author C.GOZE,G.ULRICH,R.ZIESSEL
Literature Reference Citation ORG.LETTERS,8,4445(2006)
Literature Reference DOI 10.1021/ol061601j
Solvent CDCl3
Source File Reference UWLU60292