[Pentamethylcyclopentadienyl-1,4-ditolyl-5-iron-1,2,3,4-tetraazocyclopentane] complex

SpectraBase Compound ID	DIPdwYqVJlL
InChI	InChI=1S/C14H14N4.C10H15.Ir/c1-11-3-7-13(8-4-11)15-17-18-16-14-9-5-12(2)6-10-14;1-6-7(2)9(4)10(5)8(6)3;/h3-10H,1-2H3;1-5H3;/q-2;;+2
InChIKey	MZEVRTAUVNGOOA-UHFFFAOYSA-N Google Search
Mol Weight	565.74 g/mol
Molecular Formula	C24H29IrN4
Exact Mass	566.202146 g/mol

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SpectraBase Spectrum ID	EF9FmVv7SHO
Name	[Pentamethylcyclopentadienyl-1,4-ditolyl-5-iron-1,2,3,4-tetraazocyclopentane] complex
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H29IrN4
InChI	InChI=1S/C14H14N4.C10H15.Ir/c1-11-3-7-13(8-4-11)15-17-18-16-14-9-5-12(2)6-10-14;1-6-7(2)9(4)10(5)8(6)3;/h3-10H,1-2H3;1-5H3;/q-2;;+2
InChIKey	MZEVRTAUVNGOOA-UHFFFAOYSA-N
Molecular Weight	565.741 g/mol
SMILES	[C@]12([Ir]3456([C@@]2(C)[C@]6(C)[C@]4(C)[C@]13C)N(N=NN5c1ccc(cc1)C)c1ccc(cc1)C)C
SPLASH	splash10-00kr-0000090000-e5a1bf6b20588f453615
Source of Spectrum	QB-14-433-4
Synonyms	[Pentamethylcyclopentadienyl-1,4-ditolyl-5-iridium-1,2,3,4-tetraazocyclopentane]complex
Wiley ID	841346