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[PD(C(7)H(8)C(O)ME)(AR-BIAN)]SO(3)CF(3)

View entire compound with spectra: 2 NMR

[PD(C(7)H(8)C(O)ME)(AR-BIAN)]SO(3)CF(3)
SpectraBase Compound ID 5d0PaG4rkag
InChI InChI=1S/C26H20N2O2.C9H11O.CHF3O3S.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;1-6(10)9-5-7-2-3-8(9)4-7;2-1(3,4)8(5,6)7;/h3-16H,1-2H3;2-3,5,7-9H,4H2,1H3;(H,5,6,7);/q;;;+1/p-1/t;7-,8+,9+;;/m.1../s1
InChIKey IIBYGMVKDAECNF-JHGJSLIDSA-M
Mol Weight 783.1 g/mol
Molecular Formula C36H31F3N2O6PdS
Exact Mass 782.088972 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjHE3s7jyEC
Name [PD(C(7)H(8)C(O)ME)(AR-BIAN)]SO(3)CF(3)
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H31F3N2O6PdS
InChI InChI=1S/C26H20N2O2.C9H11O.CHF3O3S.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;1-6(10)9-5-7-2-3-8(9)4-7;2-1(3,4)8(5,6)7;/h3-16H,1-2H3;2-3,5,7-9H,4H2,1H3;(H,5,6,7);/q;;;+1/p-1/t;7-,8+,9+;;/m.1../s1
InChIKey IIBYGMVKDAECNF-JHGJSLIDSA-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
Solvent CDCl3
Source File Reference UWLU4709