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[PD-BR-[ORTHO-C6H4-B(PIN)]-(PCY3)(2)]

View entire compound with spectra: 2 NMR

[PD-BR-[ORTHO-C6H4-B(PIN)]-(PCY3)(2)]
SpectraBase Compound ID 8KKIfQ1MSan
InChI InChI=1S/2C18H33P.C12H16BO2.BrH.Pd/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*16-18H,1-15H2;5-8H,1-4H3;1H;/q;;;;-1/p+1
InChIKey ZXMAWBSMPPFGRX-UHFFFAOYSA-O
Mol Weight 952.3 g/mol
Molecular Formula C48H84BBrO2P2Pd
Exact Mass 950.425779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D767ZRc1Eyp
Name [PD-BR-[ORTHO-C6H4-B(PIN)]-(PCY3)(2)]
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H82BBrO2P2Pd
InChI InChI=1S/2C18H33P.C12H16BO2.BrH.Pd/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*16-18H,1-15H2;5-8H,1-4H3;1H;/q;;;;-1/p+1
InChIKey ZXMAWBSMPPFGRX-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 950.259 g/mol
Sample ID 34033
Solvent CH2Cl2