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(4E)-Tricarbonyl[(4,7-.eta.4)-6-methyl-3-phenylhepta-4,6-dien-2-one]iron(0)
SpectraBase Compound ID 4Wfm4NGfhbY
InChI InChI=1S/C14H16O.3CO.Fe/c1-11(2)9-10-14(12(3)15)13-7-5-4-6-8-13;3*1-2;/h4-10,14H,1H2,2-3H3;;;;/q;3*+1;/t14-;;;;/m0..../s1
InChIKey AIUWBWUDOGRSSV-XCYGSCDUSA-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 EzvSAySOBLI
Name (4E)-Tricarbonyl[(4,7-.eta.4)-6-methyl-3-phenylhepta-4,6-dien-2-one]iron(0)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16FeO4
InChI InChI=1S/C14H16O.3CO.Fe/c1-11(2)9-10-14(12(3)15)13-7-5-4-6-8-13;3*1-2;/h4-10,14H,1H2,2-3H3;;;;/q;3*+1;/t14-;;;;/m0..../s1
InChIKey AIUWBWUDOGRSSV-XCYGSCDUSA-N
Molecular Weight 340.156 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3([C@@](C(=O)C)(c1ccccc1)[H])[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-0a59-0090000000-abab7512cada75f36ec2
Source of Spectrum SO-0-663-2
Wiley ID 874492