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(+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-5-methyl-2,2-(pentane-1',5'-diyl)hexa-3,5-dienal]iron(0)
SpectraBase Compound ID KzurcnWNplL
InChI InChI=1S/C12H18O.3CO.Fe/c1-11(2)6-9-12(10-13)7-4-3-5-8-12;3*1-2;/h6,9-10H,1,3-5,7-8H2,2H3;;;;/q;3*+1;
InChIKey WZPSCVCUHZLUSZ-UHFFFAOYSA-N
Mol Weight 318.15 g/mol
Molecular Formula C15H18FeO4
Exact Mass 318.055445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEGwMUbCY67
Name (+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-5-methyl-2,2-(pentane-1',5'-diyl)hexa-3,5-dienal]iron(0)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18FeO4
InChI InChI=1S/C12H18O.3CO.Fe/c1-11(2)6-9-12(10-13)7-4-3-5-8-12;3*1-2;/h6,9-10H,1,3-5,7-8H2,2H3;;;;/q;3*+1;
InChIKey WZPSCVCUHZLUSZ-UHFFFAOYSA-N
Molecular Weight 318.150 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(C1(C=O)CCCCC1)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-001i-0090000000-a136e0bf7b7d48989c79
Source of Spectrum SO-0-664-2
Wiley ID 874486