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(h5-cyclopentadienyl)dicarbonyl 2,2-dimethylpropionyliron
SpectraBase Compound ID KHEAaX7hkbA
InChI InChI=1S/C5H9O.C5H5.2CO.Fe/c1-5(2,3)4-6;1-2-4-5-3-1;2*1-2;/h1-3H3;1-5H;;;
InChIKey VWESQLLTIYDHAY-UHFFFAOYSA-N
Mol Weight 262.09 g/mol
Molecular Formula C12H14FeO3
Exact Mass 262.02923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXubEUnYomf
Name (h5-cyclopentadienyl)dicarbonyl 2,2-dimethylpropionyliron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14FeO3
InChI InChI=1S/C5H9O.C5H5.2CO.Fe/c1-5(2,3)4-6;1-2-4-5-3-1;2*1-2;/h1-3H3;1-5H;;;
InChIKey VWESQLLTIYDHAY-UHFFFAOYSA-N
Molecular Weight 262.086 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C(C(C)(C)C)=O)(C#[O])C#[O])[H]
SPLASH splash10-0adi-4930000000-f6c95323cfdfda0ee59c
Source of Spectrum O-30-160-1
Synonyms 1-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-2,2-dimethylpropan-1-one
Wiley ID 1265446