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Pentacarbonyl{1-phenyl-4-carbethoxy-5-[(eta-cyclopentadienyl)bis(phenylisocyanide)ferrio]-imidazolin-2-ylidene}tungsten
SpectraBase Compound ID KWdkiPk21dM
InChI InChI=1S/C12H11N2O2.2C7H5N.C5H5.5CO.Fe.W/c1-2-16-12(15)11-8-14(9-13-11)10-6-4-3-5-7-10;2*1-8-7-5-3-2-4-6-7;1-2-4-5-3-1;5*1-2;;/h3-7,13H,2H2,1H3;2*2-6H;1-5H;;;;;;;/q-1;;;-1;;;;;;+2;
InChIKey IKDPKGUFDXREMI-UHFFFAOYSA-N
Mol Weight 867.32 g/mol
Molecular Formula C36H27FeN4O7W
Exact Mass 867.073843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XOS20LG5Ku
Name Pentacarbonyl{1-phenyl-4-carbethoxy-5-[(eta-cyclopentadienyl)bis(phenylisocyanide)ferrio]-imidazolin-2-ylidene}tungsten
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H26FeN4O7W
InChI InChI=1S/C12H11N2O2.2C7H5N.C5H5.5CO.Fe.W/c1-2-16-12(15)11-8-14(9-13-11)10-6-4-3-5-7-10;2*1-8-7-5-3-2-4-6-7;1-2-4-5-3-1;5*1-2;;/h3-7,13H,2H2,1H3;2*2-6H;1-5H;;;;;;;/q-1;;;-1;;;;;;+2;
InChIKey IKDPKGUFDXREMI-UHFFFAOYSA-N
Molecular Weight 867.319 g/mol
SMILES c1([N+]#[C-])ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].[Fe+2].N1[CH]N([C-]=C1C(=O)OCC)c1ccccc1.c1ccc[cH-]1.c1cc(ccc1)[N+]#[C-]
SPLASH splash10-000o-0000090100-3586eca23ad481d551b4
Source of Spectrum DZ-636-706-4b
Wiley ID 1796737