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iridium(III) (2Z,6Z)-cycloocta-2,6-diene-1,5-diide 2-(2-(1H-inden-3-yl)propan-2-yl)cyclopenta-2,4-dien-1-ide
SpectraBase Compound ID C3trXzWUz50
InChI InChI=1S/C17H17.C8H10.Ir/c1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;1-2-4-6-8-7-5-3-1;/h3-10,12H,11H2,1-2H3;1-3,6-8H,4-5H2;/q-1;-2;+3/b;2-1-,8-7-;
InChIKey SMCNOEOWDRXBIL-GHDUESPLSA-N
Mol Weight 519.71 g/mol
Molecular Formula C25H27Ir
Exact Mass 520.1742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsMDUhaZdhd
Name iridium(III) (2Z,6Z)-cycloocta-2,6-diene-1,5-diide 2-(2-(1H-inden-3-yl)propan-2-yl)cyclopenta-2,4-dien-1-ide
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Formula C25H27Ir
InChI InChI=1S/C17H17.C8H10.Ir/c1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;1-2-4-6-8-7-5-3-1;/h3-10,12H,11H2,1-2H3;1-3,6-8H,4-5H2;/q-1;-2;+3/b;2-1-,8-7-;
InChIKey SMCNOEOWDRXBIL-GHDUESPLSA-N
Molecular Weight 519.708 g/mol
SMILES [cH-]1cccc1C(C=1c2c(CC1)cccc2)(C)C.[Ir+3].[CH-]1C\C=C/[CH-]C\C=C/1
SPLASH splash10-074i-0003790000-458a67d6d341b2e70526
Source of Spectrum DZ-632-548-3
Wiley ID 1800700