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Tricarbonyl[methyl(2-4-.eta.(4))-2-(1'-methyl)pentyl-penta-2Z,4-dienoate]iron(0)
SpectraBase Compound ID 2bvRFjDHKv5
InChI InChI=1S/C12H20O2.3CO.Fe/c1-5-7-9-10(3)11(8-6-2)12(13)14-4;3*1-2;/h6,8,10H,2,5,7,9H2,1,3-4H3;;;;/t10-;;;;/m0..../s1
InChIKey QGKAKPCLARZVCL-CZEDPBFNSA-N
Mol Weight 336.17 g/mol
Molecular Formula C15H20FeO5
Exact Mass 336.06601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9cR6mOJC49
Name Tricarbonyl[methyl(2-4-.eta.(4))-2-(1'-methyl)pentyl-penta-2Z,4-dienoate]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20FeO5
InChI InChI=1S/C12H20O2.3CO.Fe/c1-5-7-9-10(3)11(8-6-2)12(13)14-4;3*1-2;/h6,8,10H,2,5,7,9H2,1,3-4H3;;;;/t10-;;;;/m0..../s1
InChIKey QGKAKPCLARZVCL-CZEDPBFNSA-N
Molecular Weight 336.165 g/mol
SMILES [C@]1([Fe]23([C@]1([C@@]3(C2)[H])[H])(C#[O])(C#[O])C#[O])(C(=O)OC)[C@](CCCC)(C)[H]
SPLASH splash10-0udi-0490000000-2306ebaa01f4346fd966
Source of Spectrum OV-689-582-9
Wiley ID 1575798