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 Google Search
Mol Weight	1102.41 g/mol
Molecular Formula	C57H49F3O5P3PdS
Exact Mass	1101.150046 g/mol

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SpectraBase Spectrum ID	Dlh4JT5KbnT
Name	TRANS-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
Solvent	CD2Cl2
Source File Reference	UWLU41131