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Ethyl [.eta.(4)-5-(Ethoxycarbonylpropyl)cyclohexa-1,3-diene]tricarbonyliron(0) complex
SpectraBase Compound ID 7YEimgcvdaF
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;;;;/t11-;;;;/m0..../s1
InChIKey LRBQDJADUZSLHZ-HZAYLZKLSA-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 9BX5FdQ1eOK
Name Ethyl [.eta.(4)-5-(Ethoxycarbonylpropyl)cyclohexa-1,3-diene]tricarbonyliron(0) complex
Alternate Name(s) eta.(4)-5-(Ethoxycarbonylpropyl)cyclohexa-1,3-diene]tricarbonyliron(0) 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;;;;/t11-;;;;/m0..../s1
InChIKey LRBQDJADUZSLHZ-HZAYLZKLSA-N
Molecular Weight 334.149 g/mol
SMILES [C@]12([Fe]34([C@]2([C@](CCCC(=O)OCC)(C[C@@]4([C@]13[H])[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-0udi-0090000000-56783f7adedb478b9d3a
Source of Spectrum AT-32-116-6
Wiley ID 788224