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1,3-Diethyl-5-ferrocenyl-4-phenylimidazolium iodide
SpectraBase Compound ID ARPKy9Xv1np
InChI InChI=1S/C18H20N2.C5H5.Fe.I/c1-3-19-14-20(4-2)18(16-12-8-9-13-16)17(19)15-10-6-5-7-11-15;1-2-4-5-3-1;;/h5-14H,3-4H2,1-2H3;1-5H;;
InChIKey MFGRPDCDIQLIFS-UHFFFAOYSA-N
Mol Weight 503.14 g/mol
Molecular Formula C23H16FeIN2
Exact Mass 502.970755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjSbpmuXxoR
Name 1,3-Diethyl-5-ferrocenyl-4-phenylimidazolium iodide
Appearance Yellow gum
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Exact Mass 502.970754523 u
Formula C23H16FeIN2
InChI InChI=1S/C18H20N2.C5H5.Fe.I/c1-3-19-14-20(4-2)18(16-12-8-9-13-16)17(19)15-10-6-5-7-11-15;1-2-4-5-3-1;;/h5-14H,3-4H2,1-2H3;1-5H;;
InChIKey MFGRPDCDIQLIFS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604246
Molecular Weight 503.145 g/mol
SMILES [C]1[C][C][C][C]1.[Fe].[I].[C]1[C][C][C]([C]1)C1=C([N](=CN1CC)CC)C1=CC=CC=C1
SPLASH splash10-0a4i-0029000000-51c52c0bbcbe1d7ecfae
Source of Spectrum QE-22-18959-5b (DOI: 10.1002/chem.201604246)
Wiley ID 1905382