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[IBIOX12]-IR-(COD)-CL

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[IBIOX12]-IR-(COD)-CL
SpectraBase Compound ID CHPMUxwlvJk
InChI InChI=1S/C29H48N2O2.C8H8.ClH.Ir/c1-3-7-11-15-19-28(20-16-12-8-4-1)23-32-26-27-31(25-30(26)28)29(24-33-27)21-17-13-9-5-2-6-10-14-18-22-29;1-2-4-6-8-7-5-3-1;;/h1-24H2;1-2,7-8H2;1H;/q+1;;;+1/p-1
InChIKey AGAYDQANQYBKSL-UHFFFAOYSA-M
Mol Weight 788.5 g/mol
Molecular Formula C37H56ClIrN2O2
Exact Mass 788.365956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9qjQdLbB3V
Name [IBIOX12]-IR-(COD)-CL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56ClIrN2O2
InChI InChI=1S/C29H48N2O2.C8H8.ClH.Ir/c1-3-7-11-15-19-28(20-16-12-8-4-1)23-32-26-27-31(25-30(26)28)29(24-33-27)21-17-13-9-5-2-6-10-14-18-22-29;1-2-4-6-8-7-5-3-1;;/h1-24H2;1-2,7-8H2;1H;/q+1;;;+1/p-1
InChIKey AGAYDQANQYBKSL-UHFFFAOYSA-M
Literature Reference Author G.ALTENHOFF,R.GODDARD,C.W.LEHMANN,F.GLORIUS
Literature Reference Citation J.AM.CHEM.SOC.,126,15195(2004)
Literature Reference DOI 10.1021/ja045349r
Molecular Weight 788.537 g/mol
Solvent CDCl3
Source File Reference UWVN31684