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4,4-DIFLUORO-8-(4'-IODOPHENYL)-3,5-DIPHENYL-4-BORA-3A,4A-DIAZA-S-INDANCENE
SpectraBase Compound ID 57sf9G4MLOb
InChI InChI=1S/C27H18BF2IN2/c29-28(30)32-23(19-7-3-1-4-8-19)15-17-25(32)27(21-11-13-22(31)14-12-21)26-18-16-24(33(26)28)20-9-5-2-6-10-20/h1-18H
InChIKey GZYORULVMQGCPC-UHFFFAOYSA-N
Mol Weight 546.2 g/mol
Molecular Formula C27H18BF2IN2
Exact Mass 546.05758 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQekzbmMnca
Name 4,4-DIFLUORO-8-(4'-IODOPHENYL)-3,5-DIPHENYL-4-BORA-3A,4A-DIAZA-S-INDANCENE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18BF2IN2
InChI InChI=1S/C27H18BF2IN2/c29-28(30)32-23(19-7-3-1-4-8-19)15-17-25(32)27(21-11-13-22(31)14-12-21)26-18-16-24(33(26)28)20-9-5-2-6-10-20/h1-18H
InChIKey GZYORULVMQGCPC-UHFFFAOYSA-N
Literature Reference Author A.BURGHART,H.KIM,M.B.WELCH,L.H.THORESEN,J.REIBENSPIES,K.BURG ESS,F.BERGSTROEM,L.B
Literature Reference Citation J.ORG.CHEM.,64,7813(1999)
Literature Reference DOI 10.1021/jo990796o
Solvent CDCl3
Source File Reference UWLU60088