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CP*-IR-[N-(PARA-C6H4OME)-[CN-(PARA-C6H4OME)]-N-(PARA-C6H4OME)]
SpectraBase Compound ID LeiSZOb5KCQ
InChI InChI=1S/C22H21N3O3.C10H15.Ir/c1-26-19-10-4-16(5-11-19)23-22(24-17-6-12-20(27-2)13-7-17)25-18-8-14-21(28-3)15-9-18;1-6-7(2)9(4)10(5)8(6)3;/h4-15H,1-3H3;1-5H3;/q-2;;+2
InChIKey WSXDNBUELVZGLP-UHFFFAOYSA-N
Mol Weight 702.9 g/mol
Molecular Formula C32H36IrN3O3
Exact Mass 703.238591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzY9qNgYTOD
Name CP*-IR-[N-(PARA-C6H4OME)-[CN-(PARA-C6H4OME)]-N-(PARA-C6H4OME)]
Compound Number 1B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36IrN3O3
InChI InChI=1S/C22H21N3O3.C10H15.Ir/c1-26-19-10-4-16(5-11-19)23-22(24-17-6-12-20(27-2)13-7-17)25-18-8-14-21(28-3)15-9-18;1-6-7(2)9(4)10(5)8(6)3;/h4-15H,1-3H3;1-5H3;/q-2;;+2
InChIKey WSXDNBUELVZGLP-UHFFFAOYSA-N
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
Molecular Weight 702.876 g/mol
Sample ID 34045
Solvent C6D6