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MAJOR-ISOMER

View entire compound with spectra: 4 NMR

MAJOR-ISOMER
SpectraBase Compound ID G1J7iW230zr
InChI InChI=1S/C19H15O2P.C17H11P.C8H10N.C7H4F3.Fe.Pd/c1-20-15-7-11-18(12-8-15)22(17-5-3-4-6-17)19-13-9-16(21-2)10-14-19;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-7-3-5-8(9-2)6-4-7;8-7(9,10)6-4-2-1-3-5-6;;/h7-14,22H,1-2H3;1-6,9-12,18H;3-6H,1-2H3;2-5H;;/q2*+1;-1;;;-1
InChIKey NWTNVARHPQAGSR-UHFFFAOYSA-N
Mol Weight 980.1 g/mol
Molecular Formula C51H40F3FeNO2P2Pd
Exact Mass 979.087054 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34VrjP0lN9Y
Name MINOR-ISOMER
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H38F3FeNO2P2Pd
InChI InChI=1S/C19H15O2P.C17H11P.C8H10N.C7H4F3.Fe.Pd/c1-20-15-7-11-18(12-8-15)22(17-5-3-4-6-17)19-13-9-16(21-2)10-14-19;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-7-3-5-8(9-2)6-4-7;8-7(9,10)6-4-2-1-3-5-6;;/h7-14,22H,1-2H3;1-6,9-12,18H;3-6H,1-2H3;2-5H;;/q2*+1;-1;;;-1
InChIKey NWTNVARHPQAGSR-UHFFFAOYSA-N
Literature Reference Author M.YAMASHITA,J.V.C.VICARIO,J.F.HARTWIG
Literature Reference Citation J.AM.CHEM.SOC.,125,16347(2003)
Literature Reference DOI 10.1021/ja037425g
Solvent THF
Source File Reference UWLU52105