[TRANS-(SPANPHOS)PDCH3(CH3-CN)]-[CF3SO3]

SpectraBase Compound ID	2mnFZXJuRtj
InChI	InChI=1S/C45H42O2P2.C2H3N.CHF3O3S.CH3.Pd/c1-43(2)31-45(46-41-37(43)27-17-29-39(41)48(33-19-9-5-10-20-33)34-21-11-6-12-22-34)32-44(3,4)38-28-18-30-40(42(38)47-45)49(35-23-13-7-14-24-35)36-25-15-8-16-26-36;1-2-3;2-1(3,4)8(5,6)7;;/h5-30H,31-32H2,1-4H3;1H3;(H,5,6,7);1H3;/q;;;;-1/p+1
InChIKey	MIPDKJZKRLEQAY-UHFFFAOYSA-O Google Search
Mol Weight	990.36 g/mol
Molecular Formula	C49H50F3NO5P2PdS
Exact Mass	989.187183 g/mol

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SpectraBase Spectrum ID	75Cu0V9xEro
Name	[TRANS-(SPANPHOS)PDCH3(CH3-CN)]-[CF3SO3]
Compound Number	1A -CH3CN
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C49H48F3NO5P2PdS
InChI	InChI=1S/C45H42O2P2.C2H3N.CHF3O3S.CH3.Pd/c1-43(2)31-45(46-41-37(43)27-17-29-39(41)48(33-19-9-5-10-20-33)34-21-11-6-12-22-34)32-44(3,4)38-28-18-30-40(42(38)47-45)49(35-23-13-7-14-24-35)36-25-15-8-16-26-36;1-2-3;2-1(3,4)8(5,6)7;;/h5-30H,31-32H2,1-4H3;1H3;(H,5,6,7);1H3;/q;;;;-1/p+1
InChIKey	MIPDKJZKRLEQAY-UHFFFAOYSA-O
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	UWLU41018