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4,4-DIFLUORO-8-(4'-IODOPHENYL)-3,5-BIS-(2-METHOXYPHENYL)-4-BORA-3A,4A-DIAZA-S-INDANCENE
SpectraBase Compound ID BPtASJteWo3
InChI InChI=1S/C29H22BF2IN2O2/c1-36-27-9-5-3-7-21(27)23-15-17-25-29(19-11-13-20(33)14-12-19)26-18-16-24(35(26)30(31,32)34(23)25)22-8-4-6-10-28(22)37-2/h3-18H,1-2H3
InChIKey WPSMQMXWMXGTLH-UHFFFAOYSA-N
Mol Weight 606.2 g/mol
Molecular Formula C29H22BF2IN2O2
Exact Mass 606.078709 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVM1G33CkkE
Name 4,4-DIFLUORO-8-(4'-IODOPHENYL)-3,5-BIS-(2-METHOXYPHENYL)-4-BORA-3A,4A-DIAZA-S-INDANCENE
Compound Number 1E
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H22BF2IN2O2
InChI InChI=1S/C29H22BF2IN2O2/c1-36-27-9-5-3-7-21(27)23-15-17-25-29(19-11-13-20(33)14-12-19)26-18-16-24(35(26)30(31,32)34(23)25)22-8-4-6-10-28(22)37-2/h3-18H,1-2H3
InChIKey WPSMQMXWMXGTLH-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 UWLU60090