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(+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-2,2,5-trimethylhexa-3,5-dienal]iron(0)
SpectraBase Compound ID CqN5RgsKo3x
InChI InChI=1S/C9H14O.3CO.Fe/c1-8(2)5-6-9(3,4)7-10;3*1-2;/h5-7H,1H2,2-4H3;;;;/q;3*+1;
InChIKey APTFKDOHCASUTO-UHFFFAOYSA-N
Mol Weight 278.09 g/mol
Molecular Formula C12H14FeO4
Exact Mass 278.024145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhNQ96zKscN
Name (+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-2,2,5-trimethylhexa-3,5-dienal]iron(0)
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Formula C12H14FeO4
InChI InChI=1S/C9H14O.3CO.Fe/c1-8(2)5-6-9(3,4)7-10;3*1-2;/h5-7H,1H2,2-4H3;;;;/q;3*+1;
InChIKey APTFKDOHCASUTO-UHFFFAOYSA-N
Molecular Weight 278.085 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(C(C=O)(C)C)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-00dl-0940000000-f780a2bdb593f78c0adb
Source of Spectrum SO-0-664-2
Wiley ID 874489