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4,4-DIFLUORO-8-(4'-IODOPHENYL)-3,5-BIS-(4'-FLUOROPHENYL)-4-BORA-3A,4A-DIAZA-S-INDANCENE
SpectraBase Compound ID 2wuWPqqNNmX
InChI InChI=1S/C27H16BF4IN2/c29-20-7-1-17(2-8-20)23-13-15-25-27(19-5-11-22(33)12-6-19)26-16-14-24(18-3-9-21(30)10-4-18)35(26)28(31,32)34(23)25/h1-16H
InChIKey ZXVJVMMUQZJLLA-UHFFFAOYSA-N
Mol Weight 582.1 g/mol
Molecular Formula C27H16BF4IN2
Exact Mass 582.038736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FPva7VRjmV
Name 4,4-DIFLUORO-8-(4'-IODOPHENYL)-3,5-BIS-(4'-FLUOROPHENYL)-4-BORA-3A,4A-DIAZA-S-INDANCENE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H16BF4IN2
InChI InChI=1S/C27H16BF4IN2/c29-20-7-1-17(2-8-20)23-13-15-25-27(19-5-11-22(33)12-6-19)26-16-14-24(18-3-9-21(30)10-4-18)35(26)28(31,32)34(23)25/h1-16H
InChIKey ZXVJVMMUQZJLLA-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
Molecular Weight 582.146 g/mol
Sample ID 60093
Solvent CDCl3