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(+-)-(5E)-Tricarbonyl[(5,8-.eta.4)-2,2,7-trimethylocta-5,7-dien-3-one]iron(0)
SpectraBase Compound ID Is4cRK3jDUf
InChI InChI=1S/C11H18O.3CO.Fe/c1-9(2)7-6-8-10(12)11(3,4)5;3*1-2;/h6-7H,1,8H2,2-5H3;;;;/q;3*+1;
InChIKey PIFPBGZWPGQYFT-UHFFFAOYSA-N
Mol Weight 306.14 g/mol
Molecular Formula C14H18FeO4
Exact Mass 306.055445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aEow7wG9mu
Name (+-)-(5E)-Tricarbonyl[(5,8-.eta.4)-2,2,7-trimethylocta-5,7-dien-3-one]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18FeO4
InChI InChI=1S/C11H18O.3CO.Fe/c1-9(2)7-6-8-10(12)11(3,4)5;3*1-2;/h6-7H,1,8H2,2-5H3;;;;/q;3*+1;
InChIKey PIFPBGZWPGQYFT-UHFFFAOYSA-N
Molecular Weight 306.139 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(CC(C(C)(C)C)=O)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-0fe0-4790000000-10357472de6c9c30c8a7
Source of Spectrum SO-0-663-2
Wiley ID 874495