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[IRH-{N-(PARA-F-(C6H4)=CH-(ORTHO-C6H4)}-(ME2CO)-(PPH3)2]-PF6
SpectraBase Compound ID 6qiQBjY1jEy
InChI InChI=1S/2C18H15P.C13H9FN.C3H6O.F6P.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-3(2)4;1-7(2,3,4,5)6;/h2*1-15H;1-4,6-10H;1-2H3;;/q;;;;2*-1/p+2
InChIKey MLRNAJDRLSNHHF-UHFFFAOYSA-P
Mol Weight 1120.08130814 g/mol
Molecular Formula C52H47F7IrNOP3
Exact Mass 1120.238797 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4L0afW046nO
Name [IRH-{N-(PARA-F-(C6H4)=CH-(ORTHO-C6H4)}-(ME2CO)-(PPH3)2]-PF6
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H45F7IrNOP3
InChI InChI=1S/2C18H15P.C13H9FN.C3H6O.F6P.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-3(2)4;1-7(2,3,4,5)6;/h2*1-15H;1-4,6-10H;1-2H3;;/q;;;;2*-1/p+2
InChIKey MLRNAJDRLSNHHF-UHFFFAOYSA-P
Literature Reference Author P.LORENZINI,P.MARCAZZAN,B.O.PATRICK,B.R.JAMES
Literature Reference Citation CAN.J.CHEM.,86,253(2008)
Literature Reference DOI 10.1139/v07-153
Solvent ACETONE-D6
Source File Reference UWMZ46117