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(+-)-(4E)-Tricarbonyl[(4-7-.eta.4)-6-methylhepta-4,6-dien-2-one]iron(0)
SpectraBase Compound ID 8S7CcKJD0Jq
InChI InChI=1S/C8H12O.3CO.Fe/c1-7(2)5-4-6-8(3)9;3*1-2;/h4-5H,1,6H2,2-3H3;;;;/q;3*+1;
InChIKey DTYQDUZEFHGRGY-UHFFFAOYSA-N
Mol Weight 264.06 g/mol
Molecular Formula C11H12FeO4
Exact Mass 264.008495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38BHNiExgQ7
Name (+-)-(4E)-Tricarbonyl[(4-7-.eta.4)-6-methylhepta-4,6-dien-2-one]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FeO4
InChI InChI=1S/C8H12O.3CO.Fe/c1-7(2)5-4-6-8(3)9;3*1-2;/h4-5H,1,6H2,2-3H3;;;;/q;3*+1;
InChIKey DTYQDUZEFHGRGY-UHFFFAOYSA-N
Molecular Weight 264.058 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(CC(=O)C)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-0pc0-4930000000-55301b085a580279d3c6
Source of Spectrum SO-0-663-2
Wiley ID 874497