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(4Z)-Tricarbonyl[(4,7-.eta.4)-3-benzyl-6-methylhepta-4,6-dien-2-one]iron(0)
SpectraBase Compound ID 78i1Fh6VkxP
InChI InChI=1S/C15H18O.3CO.Fe/c1-13(2)9-10-15(3,12-16)11-14-7-5-4-6-8-14;3*1-2;/h4-10,12H,1,11H2,2-3H3;;;;/q;3*+1;
InChIKey YMCNKMAQFOFLFL-UHFFFAOYSA-N
Mol Weight 354.18 g/mol
Molecular Formula C18H18FeO4
Exact Mass 354.055445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vINjRDDv2f
Name (4Z)-Tricarbonyl[(4,7-.eta.4)-3-benzyl-6-methylhepta-4,6-dien-2-one]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18FeO4
InChI InChI=1S/C15H18O.3CO.Fe/c1-13(2)9-10-15(3,12-16)11-14-7-5-4-6-8-14;3*1-2;/h4-10,12H,1,11H2,2-3H3;;;;/q;3*+1;
InChIKey YMCNKMAQFOFLFL-UHFFFAOYSA-N
Molecular Weight 354.183 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(C(Cc1ccccc1)(C=O)C)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-074o-6291000000-1c0afeda0228cb0a9dde
Source of Spectrum SO-0-664-2
Wiley ID 874490