[PH5-FCP-(TERT.-BUTYL-3)]-PD-(C6H4-PARA-OME)-N-[[3,5-[CF3-(2)]-C6H3]-(2)]

SpectraBase Compound ID	ChiYy8kBJ52
InChI	InChI=1S/C35H25.C16H6F12N.C13H19P.C7H7O.Fe.Pd/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;1-8-7-5-3-2-4-6-7;;/h1-25H;1-6H;9H,1-6H3;3-6H,1H3;;/q;-1;;;;/p+1
InChIKey	IAILRISQNAGGRD-UHFFFAOYSA-O Google Search
Mol Weight	1362.5 g/mol
Molecular Formula	C71H58F12FeNOPPd
Exact Mass	1361.244856 g/mol

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SpectraBase Spectrum ID	A5ghiiCw1em
Name	[PH5-FCP-(TERT.-BUTYL-3)]-PD-(C6H4-PARA-OME)-N-[[3,5-[CF3-(2)]-C6H3]-(2)]
Compound Number	2B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C71H57F12FeNOPPd
InChI	InChI=1S/C35H25.C16H6F12N.C13H19P.C7H7O.Fe.Pd/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;1-8-7-5-3-2-4-6-7;;/h1-25H;1-6H;9H,1-6H3;3-6H,1H3;;/q;-1;;;;/p+1
InChIKey	IAILRISQNAGGRD-UHFFFAOYSA-O
Literature Reference Author	M.YAMASHITA,J.F.HARTWIG
Literature Reference Citation	J.AM.CHEM.SOC.,126,5344(2004)
Literature Reference DOI	10.1021/ja0315107
Solvent	TOLUENE-D8
Source File Reference	UWVN32007