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[exo-5-[(1-4-.eta.)-1,3-Cyclohexadien-5-yl]pentanenitrile]tricarbonyliron complex
SpectraBase Compound ID Dtl0LK5i4fv
InChI InChI=1S/C11H15N.3CO.Fe/c12-10-6-2-5-9-11-7-3-1-4-8-11;3*1-2;/h1,3-4,7,11H,2,5-6,8-9H2;;;;
InChIKey MDEXYHPYIKKPLC-UHFFFAOYSA-N
Mol Weight 301.12 g/mol
Molecular Formula C14H15FeNO3
Exact Mass 301.040129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YJjSaSEm4U
Name [exo-5-[(1-4-.eta.)-1,3-Cyclohexadien-5-yl]pentanenitrile]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15FeNO3
InChI InChI=1S/C11H15N.3CO.Fe/c12-10-6-2-5-9-11-7-3-1-4-8-11;3*1-2;/h1,3-4,7,11H,2,5-6,8-9H2;;;;
InChIKey MDEXYHPYIKKPLC-UHFFFAOYSA-N
Molecular Weight 301.123 g/mol
SMILES C12[Fe]34(C2C(CCCCC#N)CC4C13)(C#[O])(C#[O])C#[O]
SPLASH splash10-00dj-0090000000-c6b67e228eafd88e8ddb
Source of Spectrum C-115-5948-22
Synonyms 5-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]pentanenitrile
Wiley ID 1303679