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1-DI-TERT.-BUTYLPHOSPHINO-PENTA-(PARA-TRIFLUOROMETHYLPHENYL)-FERROCENE

View entire compound with spectra: 2 NMR

1-DI-TERT.-BUTYLPHOSPHINO-PENTA-(PARA-TRIFLUOROMETHYLPHENYL)-FERROCENE
SpectraBase Compound ID LslwUWPn5WE
InChI InChI=1S/C40H20F15.C13H19P.Fe/c41-36(42,43)26-11-1-21(2-12-26)31-32(22-3-13-27(14-4-22)37(44,45)46)34(24-7-17-29(18-8-24)39(50,51)52)35(25-9-19-30(20-10-25)40(53,54)55)33(31)23-5-15-28(16-6-23)38(47,48)49;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-20H;9H,1-6H3;
InChIKey QBKXXRJHDAJKQB-UHFFFAOYSA-N
Mol Weight 1047.7 g/mol
Molecular Formula C53H39F15FeP
Exact Mass 1047.189922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CmsggOVAVC
Name 1-DI-TERT.-BUTYLPHOSPHINO-PENTA-(PARA-TRIFLUOROMETHYLPHENYL)-FERROCENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H39F15FeP
InChI InChI=1S/C40H20F15.C13H19P.Fe/c41-36(42,43)26-11-1-21(2-12-26)31-32(22-3-13-27(14-4-22)37(44,45)46)34(24-7-17-29(18-8-24)39(50,51)52)35(25-9-19-30(20-10-25)40(53,54)55)33(31)23-5-15-28(16-6-23)38(47,48)49;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-20H;9H,1-6H3;
InChIKey QBKXXRJHDAJKQB-UHFFFAOYSA-N
Literature Reference Author N.KATAOKA,Q.SHELBY,J.P.STAMBULI,J.F.HARTWIG
Literature Reference Citation J.ORG.CHEM.,67,5553(2002)
Literature Reference DOI 10.1021/jo025732j
Molecular Weight 1047.689 g/mol
Solvent C6D6
Source File Reference UWVN23462