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[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-PHENYL-5-METHYL-1H-PYRAZOLE]]-[PF6];ENDO-SYN-ANTI-ISOMER

View entire compound with spectra: 6 NMR

[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-PHENYL-5-METHYL-1H-PYRAZOLE]]-[PF6];ENDO-SYN-ANTI-ISOMER
SpectraBase Compound ID 2XS5W9nSDJd
InChI InChI=1S/C29H24N2P.C15H11.C5H.F6P.Fe.Pd/c1-22-21-28(24-13-6-3-7-14-24)30-31(22)23(2)27-19-12-20-29(27)32(25-15-8-4-9-16-25)26-17-10-5-11-18-26;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;;/h3-11,13-18,21,23,32H,1-2H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t23-;;;;;/m0...../s1
InChIKey LXUMIVKGBCXJLP-TUXSZDOYSA-N
Mol Weight 991.04514298 g/mol
Molecular Formula C49H36F6FeN2P2Pd
Exact Mass 990.064208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ivA6VN9IaV
Name [PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-PHENYL-5-METHYL-1H-PYRAZOLE]]-[PF6];ENDO-SYN-SYN-ISOMER
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H35F6FeN2P2Pd
InChI InChI=1S/C29H24N2P.C15H11.C5H.F6P.Fe.Pd/c1-22-21-28(24-13-6-3-7-14-24)30-31(22)23(2)27-19-12-20-29(27)32(25-15-8-4-9-16-25)26-17-10-5-11-18-26;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;;/h3-11,13-18,21,23,32H,1-2H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t23-;;;;;/m0...../s1
InChIKey LXUMIVKGBCXJLP-TUXSZDOYSA-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 990.035 g/mol
Sample ID 38405
Solvent THF-D8