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[PD(C(7)H(8)C(O)C(7)H(8)C(O)ME)(P-AN-BIAN)]Cl
SpectraBase Compound ID 6c2gO1f4UsA
InChI InChI=1S/C26H20N2O2.C17H19O2.ClH.Pd/c1-29-20-13-9-18(10-14-20)27-25-22-7-3-5-17-6-4-8-23(24(17)22)26(25)28-19-11-15-21(30-2)16-12-19;1-9(18)15-12-4-5-13(8-12)16(15)17(19)14-7-10-2-3-11(14)6-10;;/h3-16H,1-2H3;2-5,7,10-16H,6,8H2,1H3;1H;/q;;;+1/p-1/t;10-,11+,12-,13+,14-,15-,16-;;/m.1../s1
InChIKey CXJACQRKEXMKPP-RQQSMDBDSA-M
Mol Weight 789.7 g/mol
Molecular Formula C43H39ClN2O4Pd
Exact Mass 788.163315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6e98gWJ7mi7
Name [PD(C(7)H(8)C(O)C(7)H(8)C(O)ME)(P-AN-BIAN)]Cl
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H39ClN2O4Pd
InChI InChI=1S/C26H20N2O2.C17H19O2.ClH.Pd/c1-29-20-13-9-18(10-14-20)27-25-22-7-3-5-17-6-4-8-23(24(17)22)26(25)28-19-11-15-21(30-2)16-12-19;1-9(18)15-12-4-5-13(8-12)16(15)17(19)14-7-10-2-3-11(14)6-10;;/h3-16H,1-2H3;2-5,7,10-16H,6,8H2,1H3;1H;/q;;;+1/p-1/t;10-,11+,12-,13+,14-,15-,16-;;/m.1../s1
InChIKey CXJACQRKEXMKPP-RQQSMDBDSA-M
Literature Reference Author R.V.ASSELT,E.E.C.G.GIELENS,R.E.RUELKE,K.VRIEZE,C.J.ELSEVIER
Literature Reference Citation J.AM.CHEM.SOC.,116,977(1994)
Literature Reference DOI 10.1021/ja00082a020
Molecular Weight 789.667 g/mol
Solvent CDCl3
Source File Reference UWLU4714