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WCHQKRHIVDZSST-VLYZREHPSA-O

View entire compound with spectra: 1 NMR

WCHQKRHIVDZSST-VLYZREHPSA-O
SpectraBase Compound ID 4wvAdhyzWLg
InChI InChI=1S/C20H21P.2C12H11P.2C5H.C4H4N.2BF4.2Fe.Ni/c1-16(18-10-6-7-11-18)21(20-14-4-3-5-15-20)17(2)19-12-8-9-13-19;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;1-4(2)3-5;2*2-1(3,4)5;;;/h6,8,16-17,20H,3-5,14-15H2,1-2H3;2*1-10,13H;2*1H;1H,2H3;;;;;/q;;;;;;2*-1;;;+1/p+1/t16-,17+,21?;;;;;;;;;;
InChIKey WCHQKRHIVDZSST-VLYZREHPSA-O
Mol Weight 1198.0 g/mol
Molecular Formula C58H50B2F8Fe2NNiP3
Exact Mass 1197.126661 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZcUCmdtWlY
Name WCHQKRHIVDZSST-VLYZREHPSA-O
Compound Number 5-(BF4)2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H47B2F8Fe2NNiP3
InChI InChI=1S/C20H21P.2C12H11P.2C5H.C4H4N.2BF4.2Fe.Ni/c1-16(18-10-6-7-11-18)21(20-14-4-3-5-15-20)17(2)19-12-8-9-13-19;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;1-4(2)3-5;2*2-1(3,4)5;;;/h6,8,16-17,20H,3-5,14-15H2,1-2H3;2*1-10,13H;2*1H;1H,2H3;;;;;/q;;;;;;2*-1;;;+1/p+1/t16-,17+,21?;;;;;;;;;;
InChIKey WCHQKRHIVDZSST-VLYZREHPSA-O
Literature Reference Author A.D.SADOW,I.HALLER,L.FADINI,A.TOGNI
Literature Reference Citation J.AM.CHEM.SOC.,126,14704(2004)
Literature Reference DOI 10.1021/ja0449574
Solvent CD2Cl2
Source File Reference UWLU34997