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(+-)-(5E)-Tricarbonyl[(5,8-.eta.4)-2,7-dimethylocta-5,7-dien-3-one]iron(0)
SpectraBase Compound ID ISWEY3zPiID
InChI InChI=1S/C10H16O.3CO.Fe/c1-8(2)6-5-7-10(11)9(3)4;3*1-2;/h5-6,9H,1,7H2,2-4H3;;;;/q;3*+1;
InChIKey UUGJDTYCSBSTGZ-UHFFFAOYSA-N
Mol Weight 292.11 g/mol
Molecular Formula C13H16FeO4
Exact Mass 292.039795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9cWCFDBrMN
Name (+-)-(5E)-Tricarbonyl[(5,8-.eta.4)-2,7-dimethylocta-5,7-dien-3-one]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16FeO4
InChI InChI=1S/C10H16O.3CO.Fe/c1-8(2)6-5-7-10(11)9(3)4;3*1-2;/h5-6,9H,1,7H2,2-4H3;;;;/q;3*+1;
InChIKey UUGJDTYCSBSTGZ-UHFFFAOYSA-N
Molecular Weight 292.112 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(CC(=O)C(C)C)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-052r-5690000000-dc9dc8e0941c43cd4457
Source of Spectrum SO-0-663-2
Wiley ID 874496