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[Ethyl exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]butyrate]tricarbonyliron complex
SpectraBase Compound ID 4EOadw9Eide
InChI InChI=1S/C12H18O2.3CO.Fe/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;3*1-2;/h3-5,7,11H,2,6,8-10H2,1H3;;;;
InChIKey LRBQDJADUZSLHZ-UHFFFAOYSA-N
Mol Weight 334.15 g/mol
Molecular Formula C15H18FeO5
Exact Mass 334.05036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KCKmJTqam
Name [Ethyl exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]butyrate]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18FeO5
InChI InChI=1S/C12H18O2.3CO.Fe/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;3*1-2;/h3-5,7,11H,2,6,8-10H2,1H3;;;;
InChIKey LRBQDJADUZSLHZ-UHFFFAOYSA-N
Molecular Weight 334.149 g/mol
SMILES C12[Fe]34(C2C(CCCC(=O)OCC)CC4C13)(C#[O])(C#[O])C#[O]
SPLASH splash10-0ul4-1980000000-a9c2d8c30e0e977bb2fc
Source of Spectrum C-115-5948-4
Synonyms Ethyl 4-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]butanoate
Wiley ID 1330666