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[Ethyl exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]propionate]tricarbonyl iron complex
SpectraBase Compound ID 47FVWyu1dGb
InChI InChI=1S/C11H16O2.3CO.Fe/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;3*1-2;/h3-6,10H,2,7-9H2,1H3;;;;
InChIKey MTMPLDNCWVZTAS-UHFFFAOYSA-N
Mol Weight 320.12 g/mol
Molecular Formula C14H16FeO5
Exact Mass 320.03471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxGrr7RN1jQ
Name [Ethyl exo-4-[(1-4-.eta.)-1,3-cyclohexadien-5-yl]propionate]tricarbonyl iron complex
Alternate Name(s) Ethyl 3-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptan-3-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16FeO5
InChI InChI=1S/C11H16O2.3CO.Fe/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;3*1-2;/h3-6,10H,2,7-9H2,1H3;;;;
InChIKey MTMPLDNCWVZTAS-UHFFFAOYSA-N
Molecular Weight 320.122 g/mol
SMILES C12[Fe]34(C2C(CCC(=O)OCC)CC4C13)(C#[O])(C#[O])C#[O]
SPLASH splash10-055o-9870000000-314681653c92c072d648
Source of Spectrum C-115-5948-4
Wiley ID 1319766