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TRANS-ACETYL-[(DPEPHOS)PD(C(O)CH3)P(C6H5)3]-[CF3SO3]
SpectraBase Compound ID 5TBktr7PQWr
InChI InChI=1S/C36H28OP2.C18H15P.C2H3O.CHF3O3S.Pd/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;2-1(3,4)8(5,6)7;/h1-28H;1-15H;1H3;(H,5,6,7);/q;;;;-2/p+2
InChIKey YNSHYPFNEHXCSU-UHFFFAOYSA-P
Mol Weight 1102.41 g/mol
Molecular Formula C57H49F3O5P3PdS
Exact Mass 1101.150046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcxNBL8Oxuy
Name CIS-ACETYL-[(DPEPHOS)PD(C(O)CH3)P(C6H5)3]-[CF3SO3]
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H46F3O5P3PdS
InChI InChI=1S/C36H28OP2.C18H15P.C2H3O.CHF3O3S.Pd/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;2-1(3,4)8(5,6)7;/h1-28H;1-15H;1H3;(H,5,6,7);/q;;;;-2/p+2
InChIKey YNSHYPFNEHXCSU-UHFFFAOYSA-P
Literature Reference Author P.W.N.M.V.LEEUWEN,M.A.ZUIDEVELD,B.H.G.SWENNENHUIS,Z.FREIXA,P .C.J.KAMER,K.GOUBITZ
Literature Reference Citation J.AM.CHEM.SOC.,125,5523(2003)
Literature Reference DOI 10.1021/ja029341y
Molecular Weight 1099.386 g/mol
Sample ID 41030
Solvent CD2Cl2