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CP*-IR-(N-TOL-(CN-TOL)-N-TOL)

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CP*-IR-(N-TOL-(CN-TOL)-N-TOL)
SpectraBase Compound ID 1DcAYMDqLTL
InChI InChI=1S/C22H21N3.C10H15.Ir/c1-16-4-10-19(11-5-16)23-22(24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;1-6-7(2)9(4)10(5)8(6)3;/h4-15H,1-3H3;1-5H3;/q-2;;+2
InChIKey HUKNVYBSKLJOAW-UHFFFAOYSA-N
Mol Weight 654.9 g/mol
Molecular Formula C32H36IrN3
Exact Mass 655.253847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2ilbDgcxNA
Name CP*-IR-(N-TOL-(CN-TOL)-N-TOL)
Compound Number 1A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36IrN3
InChI InChI=1S/C22H21N3.C10H15.Ir/c1-16-4-10-19(11-5-16)23-22(24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;1-6-7(2)9(4)10(5)8(6)3;/h4-15H,1-3H3;1-5H3;/q-2;;+2
InChIKey HUKNVYBSKLJOAW-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 654.878 g/mol
Sample ID 34044
Solvent C6D6