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CP*-IR-[N-(PARA-C6H4CF3)-(CO)-N-(PARA-C6H4CF3)]
SpectraBase Compound ID 7bdqIkf1Rj5
InChI InChI=1S/C15H9F6N2O.C10H15.Ir/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21;1-6-7(2)9(4)10(5)8(6)3;/h1-8H,(H-,22,23,24);1-5H3;/q-1;;+2/p-1
InChIKey AZTFRMQNYGRTTH-UHFFFAOYSA-M
Mol Weight 673.68 g/mol
Molecular Formula C25H23F6IrN2O
Exact Mass 674.134381 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CotpLkPIRqi
Name CP*-IR-[N-(PARA-C6H4CF3)-(CO)-N-(PARA-C6H4CF3)]
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23F6IrN2O
InChI InChI=1S/C15H9F6N2O.C10H15.Ir/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21;1-6-7(2)9(4)10(5)8(6)3;/h1-8H,(H-,22,23,24);1-5H3;/q-1;;+2/p-1
InChIKey AZTFRMQNYGRTTH-UHFFFAOYSA-M
Literature Reference Author A.W.HOLLAND,R.G.BERGMAN
Literature Reference Citation J.AM.CHEM.SOC.,124,9010(2002)
Literature Reference DOI 10.1021/ja026178y
Solvent CD2Cl2
Source File Reference UWSI34047