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Major-isomer

View entire compound with spectra: 3 NMR

Major-isomer
SpectraBase Compound ID 8IwO37fQ46
InChI InChI=1S/C17H11P.C15H11.C12H14NO.6FH.Fe.Pd.Sb/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-8(2)11-7-14-12(13-11)10-6-4-5-9(10)3;;;;;;;;;/h1-6,9-13H;1-6,8-12H;4,8,11H,7H2,1-3H3;6*1H;;;/q;;;;;;;;;;;+5/p-5/t;;11-;;;;;;;;;/m..1........./s1
InChIKey NZMGRRGDWRUNEY-RZBLRDARSA-I
Mol Weight 1024.776 g/mol
Molecular Formula C44H37F6FeNOPPdSb
Exact Mass 1022.993922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGabkrglLYJ
Name MAJOR-ISOMER
Compound Number 14
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H36F6FeNOPPdSb
InChI InChI=1S/C17H11P.C15H11.C12H14NO.6FH.Fe.Pd.Sb/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-8(2)11-7-14-12(13-11)10-6-4-5-9(10)3;;;;;;;;;/h1-6,9-13H;1-6,8-12H;4,8,11H,7H2,1-3H3;6*1H;;;/q;;;;;;;;;;;+5/p-5/t;;11-;;;;;;;;;/m..1........./s1
InChIKey NZMGRRGDWRUNEY-RZBLRDARSA-I
Literature Reference Author W.P.DENG,S.L.YOU,X.L.HOU,L.X.DAI,Y.H.YU,W.XIA,J.SUN
Literature Reference Citation J.AM.CHEM.SOC.,123,6508(2001)
Literature Reference DOI 10.1021/ja002657q
Molecular Weight 1023.757 g/mol
Solvent Unknown
Source File Reference UWVN27742