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1,3-Diethyl-4-ferrocenyl-5-phenylimidazolium tetrafluoroborate
SpectraBase Compound ID 3DwUuLcfcw5
InChI InChI=1S/C18H20N2.C5H5.BF4.Fe/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;2-1(3,4)5;/h5-14H,3-4H2,1-2H3;1-5H;;
InChIKey AVNFVLNDDAGURZ-UHFFFAOYSA-N
Mol Weight 463.04 g/mol
Molecular Formula C23H16BF4FeN2
Exact Mass 463.069202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6OpSyiB6P9
Name 1,3-Diethyl-4-ferrocenyl-5-phenylimidazolium tetrafluoroborate
Appearance Yellow gum
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Exact Mass 463.069202345 u
Formula C23H16BF4FeN2
InChI InChI=1S/C18H20N2.C5H5.BF4.Fe/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;2-1(3,4)5;/h5-14H,3-4H2,1-2H3;1-5H;;
InChIKey AVNFVLNDDAGURZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604246
Molecular Weight 463.044 g/mol
SMILES [C]1[C][C][C]([C]1)C=1N(C=[N](C1C=1C=CC=CC1)CC)CC.F[B](F)(F)F.[Fe].[C]1[C][C][C][C]1
SPLASH splash10-0a4i-0039000000-baefdfc83febe55bc0ab
Source of Spectrum QE-22-18960-9 (DOI: 10.1002/chem.201604246)
Wiley ID 1905384