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[PD(C(10)H(12)C(O)ME)(P-AN-BIAN)]SO(3)CF(3);MAJOR-ISOMER
SpectraBase Compound ID HN6UlrSSKUd
InChI InChI=1S/C26H20N2O2.C12H15O.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;1-7(13)11-5-8-6-12(11)10-4-2-3-9(8)10;2-1(3,4)8(5,6)7;/h3-16H,1-2H3;2,4-5,8-12H,3,6H2,1H3;(H,5,6,7);/q;;;+1/p-1/t;8-,9+,10+,11-,12+;;/m.0../s1
InChIKey OHAJINMRYVUDPE-IXRHIFANSA-M
Mol Weight 823.2 g/mol
Molecular Formula C39H35F3N2O6PdS
Exact Mass 822.120273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQN2UA9jSKa
Name [PD(C(10)H(12)C(O)ME)(P-AN-BIAN)]SO(3)CF(3);MINOR-ISOMER
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H35F3N2O6PdS
InChI InChI=1S/C26H20N2O2.C12H15O.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;1-7(13)11-5-8-6-12(11)10-4-2-3-9(8)10;2-1(3,4)8(5,6)7;/h3-16H,1-2H3;2,4-5,8-12H,3,6H2,1H3;(H,5,6,7);/q;;;+1/p-1/t;8-,9+,10+,11-,12+;;/m.0../s1
InChIKey OHAJINMRYVUDPE-IXRHIFANSA-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 823.192 g/mol
Solvent CDCl3
Source File Reference UWLU4712