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[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(1-ADAMANTYL)-1H-PYRAZOLE]]-[PF6];EXO-SYN-SYN-ISOMER
SpectraBase Compound ID 4uYd3TdJZlS
InChI InChI=1S/C32H32N2P.C15H11.C5H.F6P.Fe.Pd/c1-23(34-16-15-31(33-34)32-20-24-17-25(21-32)19-26(18-24)22-32)29-13-8-14-30(29)35(27-9-4-2-5-10-27)28-11-6-3-7-12-28;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-4-5-3-1;1-7(2,3,4,5)6;;/h2-7,9-12,15-16,23-26,35H,17-22H2,1H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t23-,24-,25+,26-,32-;;;;;/m0...../s1
InChIKey MZAIONWTNPMEFS-YKCMVPTNSA-N
Mol Weight 1035.1 g/mol
Molecular Formula C52H44F6FeN2P2Pd
Exact Mass 1034.126808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vtAAxfQOxe
Name [PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(1-ADAMANTYL)-1H-PYRAZOLE]]-[PF6];EXO-SYN-SYN-ISOMER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H43F6FeN2P2Pd
InChI InChI=1S/C32H32N2P.C15H11.C5H.F6P.Fe.Pd/c1-23(34-16-15-31(33-34)32-20-24-17-25(21-32)19-26(18-24)22-32)29-13-8-14-30(29)35(27-9-4-2-5-10-27)28-11-6-3-7-12-28;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-2-4-5-3-1;1-7(2,3,4,5)6;;/h2-7,9-12,15-16,23-26,35H,17-22H2,1H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t23-,24-,25+,26-,32-;;;;;/m0...../s1
InChIKey MZAIONWTNPMEFS-YKCMVPTNSA-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
Molecular Weight 1034.132 g/mol
Sample ID 38402
Solvent THF-D8