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[exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]butyronitrile]tricarbonyliron complex
SpectraBase Compound ID 54wF25iRFw4
InChI InChI=1S/C10H13N.3CO.Fe/c11-9-5-4-8-10-6-2-1-3-7-10;3*1-2;/h1-2,6H,3-5,7-8H2;;;;
InChIKey ABOJODMDYUZKBN-UHFFFAOYSA-N
Mol Weight 287.1 g/mol
Molecular Formula C13H13FeNO3
Exact Mass 287.024479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3arCzdg8vI
Name [exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]butyronitrile]tricarbonyliron complex
Alternate Name(s) 4-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-2-yl]butanenitrile
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Formula C13H13FeNO3
InChI InChI=1S/C10H13N.3CO.Fe/c11-9-5-4-8-10-6-2-1-3-7-10;3*1-2;/h1-2,6H,3-5,7-8H2;;;;
InChIKey ABOJODMDYUZKBN-UHFFFAOYSA-N
Molecular Weight 287.096 g/mol
SMILES C12[Fe]34(C2C4CCC13CCCC#N)(C#[O])(C#[O])C#[O]
SPLASH splash10-0ue9-0090000000-1b2eef4189e7f63454d9
Source of Spectrum C-115-5948-4
Wiley ID 1290651