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[1-n-Butyl-3-methyl-4,5-bis(diphenylphosphinoyl)imidazol-2-ylidene]-[(1,2,5,6-)-1,5-cyclooctadiene]chloroiridium(I)
SpectraBase Compound ID BhfjIAVod4w
InChI InChI=1S/C32H33N2O2P2.C8H12.ClH.Ir/c1-3-4-25-34-26-33(2)31(37(35,27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(34)38(36,29-21-13-7-14-22-29)30-23-15-8-16-24-30;1-2-4-6-8-7-5-3-1;;/h5-24,26H,3-4,25H2,1-2H3;1-2,7-8H,3-6H2;1H;/q-1;;;+2/p-1/b;2-1-,8-7-;;
InChIKey DELBKANQHHFBGN-ONEVTFJLSA-M
Mol Weight 875.43 g/mol
Molecular Formula C40H45ClIrN2O2P2
Exact Mass 875.227404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hXVdnm0tiv
Name [1-n-Butyl-3-methyl-4,5-bis(diphenylphosphinoyl)imidazol-2-ylidene]-[(1,2,5,6-)-1,5-cyclooctadiene]chloroiridium(I)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H45ClIrN2O2P2
InChI InChI=1S/C32H33N2O2P2.C8H12.ClH.Ir/c1-3-4-25-34-26-33(2)31(37(35,27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(34)38(36,29-21-13-7-14-22-29)30-23-15-8-16-24-30;1-2-4-6-8-7-5-3-1;;/h5-24,26H,3-4,25H2,1-2H3;1-2,7-8H,3-6H2;1H;/q-1;;;+2/p-1/b;2-1-,8-7-;;
InChIKey DELBKANQHHFBGN-ONEVTFJLSA-M
Molecular Weight 875.430 g/mol
SMILES C1\C=C/CC\C=C/C1.C=1(N([CH-]N(C1P(c1ccccc1)(=O)c1ccccc1)CCCC)C)P(c1ccccc1)(c1ccccc1)=O.[Ir+2].[Cl-]
SPLASH splash10-00dr-0042020090-8da2665dcc4c06366098
Source of Spectrum U2-2014-4981-7b
Wiley ID 1789095