[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-ANTHRYL)-5-METHYL-1H-PYRAZOLE]]-[BF4];EXO-SYN-ANTI-ISOMER

SpectraBase Compound ID	C8ZEez2FoUY
InChI	InChI=1S/C37H28N2P.C15H11.C5H.BF4.Fe.Pd/c1-26-24-35(37-33-20-11-9-14-28(33)25-29-15-10-12-21-34(29)37)38-39(26)27(2)32-22-13-23-36(32)40(30-16-5-3-6-17-30)31-18-7-4-8-19-31;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-4-5-3-1;2-1(3,4)5;;/h3-12,14-21,24-25,27,40H,1-2H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t27-;;;;;/m0...../s1
InChIKey	XLDQHILAHYEVQC-IYQGNMQNSA-N Google Search
Mol Weight	1033.0 g/mol
Molecular Formula	C57H40BF4FeN2PPd
Exact Mass	1032.134245 g/mol

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SpectraBase Spectrum ID	EDMwi2B8Dfi
Name	[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-ANTHRYL)-5-METHYL-1H-PYRAZOLE]]-[BF4];EXO-SYN-SYN-ISOMER
Compound Number	4J
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C57H39BF4FeN2PPd
InChI	InChI=1S/C37H28N2P.C15H11.C5H.BF4.Fe.Pd/c1-26-24-35(37-33-20-11-9-14-28(33)25-29-15-10-12-21-34(29)37)38-39(26)27(2)32-22-13-23-36(32)40(30-16-5-3-6-17-30)31-18-7-4-8-19-31;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-4-5-3-1;2-1(3,4)5;;/h3-12,14-21,24-25,27,40H,1-2H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t27-;;;;;/m0...../s1
InChIKey	XLDQHILAHYEVQC-IYQGNMQNSA-N
Literature Reference Author	A.TOGNI,U.BURCKHARDT,V.GRAMLICH,P.S.PREGOSIN,R.SALZMANN
Literature Reference Citation	J.AM.CHEM.SOC.,118,1031(1996)
Literature Reference DOI	10.1021/ja953031g
Solvent	THF-D8
Source File Reference	UWSI38407