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[exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]propionitrile]tricarbonyliron complex
SpectraBase Compound ID 1HhAjQCpyVa
InChI InChI=1S/C9H11N.3CO.Fe/c10-8-4-7-9-5-2-1-3-6-9;3*1-2;/h1-3,5,9H,4,6-7H2;;;;
InChIKey RNYPZDMBBPGKNO-UHFFFAOYSA-N
Mol Weight 273.07 g/mol
Molecular Formula C12H11FeNO3
Exact Mass 273.008829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck35LuKriPc
Name [exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]propionitrile]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11FeNO3
InChI InChI=1S/C9H11N.3CO.Fe/c10-8-4-7-9-5-2-1-3-6-9;3*1-2;/h1-3,5,9H,4,6-7H2;;;;
InChIKey RNYPZDMBBPGKNO-UHFFFAOYSA-N
Molecular Weight 273.069 g/mol
SMILES [C@]12([Fe]34([C@]2(C(CCC#N)C[C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-000i-3910000000-ba1e2164a3d3ec0b2493
Source of Spectrum C-115-5948-4
Synonyms 3-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]propanenitrile
Wiley ID 1277018