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(3E)-Tricarbonyl[(3,6-.eta.4)-2,5-dimethyl-2-phenylhexa-3,5-dienal]iron(0)
SpectraBase Compound ID LOCwEhNnSSA
InChI InChI=1S/C14H16O.3CO.Fe/c1-12(2)9-10-14(3,11-15)13-7-5-4-6-8-13;3*1-2;/h4-11H,1H2,2-3H3;;;;/q;3*+1;
InChIKey VNQJVKNSRMWCHB-UHFFFAOYSA-N
Mol Weight 340.16 g/mol
Molecular Formula C17H16FeO4
Exact Mass 340.039795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HLIKg3NnY
Name (3E)-Tricarbonyl[(3,6-.eta.4)-2,5-dimethyl-2-phenylhexa-3,5-dienal]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16FeO4
InChI InChI=1S/C14H16O.3CO.Fe/c1-12(2)9-10-14(3,11-15)13-7-5-4-6-8-13;3*1-2;/h4-11H,1H2,2-3H3;;;;/q;3*+1;
InChIKey VNQJVKNSRMWCHB-UHFFFAOYSA-N
Molecular Weight 340.156 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(C(c1ccccc1)(C=O)C)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-0a59-0980000000-1f6342aad1cfb97c4df7
Source of Spectrum SO-0-664-2
Wiley ID 874487