John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=D3K0nhdPScI SpectraBase Spectrum ID=Kbo4500kWck

(accessed ).
(1,10-PHENANTHROLINE)PD(CH3)(NCC6H5)+((CF3)2C6H3)4B-
SpectraBase Compound ID D3K0nhdPScI
InChI InChI=1S/C32H12BF24.C12H8N2.C7H5N.CH3.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-7-4-2-1-3-5-7;;/h1-12H;1-8H;1-5H;1H3;/q-1;;;;+1
InChIKey LLDSVMMLKRSHTC-UHFFFAOYSA-N
Mol Weight 1268.01 g/mol
Molecular Formula C52H28BF24N3Pd
Exact Mass 1267.102781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbo4500kWck
Name (1,10-PHENANTHROLINE)PD(CH3)(NCC6H5)+((CF3)2C6H3)4B-
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H28BF24N3Pd
InChI InChI=1S/C32H12BF24.C12H8N2.C7H5N.CH3.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-7-4-2-1-3-5-7;;/h1-12H;1-8H;1-5H;1H3;/q-1;;;;+1
InChIKey LLDSVMMLKRSHTC-UHFFFAOYSA-N
Literature Reference Author F.C.RIX,M.BROOKHART,P.S.WHITE
Literature Reference Citation J.AM.CHEM.SOC.,118,4746(1996)
Literature Reference DOI 10.1021/ja953276t
Molecular Weight 1268.006 g/mol
Sample ID 56521
Solvent CD2Cl2
SpectraBase Batch ID 96YJzuCP9dy