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[PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-TRIPTYCYL)-1H-PYRAZOLE]]-[PF6];EXO-SYN-ANTI-ISOMER
SpectraBase Compound ID wk37KoM45j
InChI InChI=1S/C42H30N2P.C15H11.C5H.F6P.Fe.Pd/c1-29(32-22-14-26-39(32)45(30-15-4-2-5-16-30)31-17-6-3-7-18-31)44-28-27-40(43-44)42-36-23-11-8-19-33(36)41(34-20-9-12-24-37(34)42)35-21-10-13-25-38(35)42;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;;/h2-13,15-21,23-25,27-29,41,45H,1H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t29-,41-,42?;;;;;/m0...../s1
InChIKey KFDWUSGVOQBWKI-LCNTWAMQSA-N
Mol Weight 1153.23614298 g/mol
Molecular Formula C62H42F6FeN2P2Pd
Exact Mass 1152.111158 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MklKBtRo5U
Name [PD-(ETA(3)-PH-CH-CH-CH-PH)-[1-[(S)-1-[(R)-2-(DIPHENYLPHOSPHINO)-FERROCENYL]-ETHYL]-3-(9-TRIPTYCYL)-1H-PYRAZOLE]]-[PF6];EXO-SYN-ANTI-ISOMER
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H41F6FeN2P2Pd
InChI InChI=1S/C42H30N2P.C15H11.C5H.F6P.Fe.Pd/c1-29(32-22-14-26-39(32)45(30-15-4-2-5-16-30)31-17-6-3-7-18-31)44-28-27-40(43-44)42-36-23-11-8-19-33(36)41(34-20-9-12-24-37(34)42)35-21-10-13-25-38(35)42;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;;/h2-13,15-21,23-25,27-29,41,45H,1H3;1-6,8-12H;1H;;;/q+1;;;-1;;/t29-,41-,42?;;;;;/m0...../s1
InChIKey KFDWUSGVOQBWKI-LCNTWAMQSA-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 UWSI38408