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[NI-BR-[ORTHO-C6H4BR-B(PIN)]-(PPH3)(2)]

View entire compound with spectra: 2 NMR

[NI-BR-[ORTHO-C6H4BR-B(PIN)]-(PPH3)(2)]
SpectraBase Compound ID 74ijpLPTe6Z
InChI InChI=1S/2C18H15P.C12H16BO2.BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;;/h2*1-15H;5-8H,1-4H3;1H;/q;;;;-1/p+1
InChIKey YGXGRQZVWDHQON-UHFFFAOYSA-O
Mol Weight 868.3 g/mol
Molecular Formula C48H48BBrNiO2P2
Exact Mass 866.17594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iyO5GNLfFp
Name [NI-BR-[ORTHO-C6H4BR-B(PIN)]-(PPH3)(2)]
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H46BBrNiO2P2
InChI InChI=1S/2C18H15P.C12H16BO2.BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;;/h2*1-15H;5-8H,1-4H3;1H;/q;;;;-1/p+1
InChIKey YGXGRQZVWDHQON-UHFFFAOYSA-O
Literature Reference Author M.RETBOLL,A.J.EDWARDS,A.D.RAE,A.C.WILLIS,M.A.BENNETT,E.WENGE R
Literature Reference Citation J.AM.CHEM.SOC.,124,8348(2002)
Literature Reference DOI 10.1021/ja0264091
Molecular Weight 866.244 g/mol
Sample ID 34028
Solvent CD2Cl2