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(+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-1-cyclohexyl-5-methylhexa-3,5-dien-1-one]iron(0)
SpectraBase Compound ID GyH3AXmPgi9
InChI InChI=1S/C13H20O.3CO.Fe/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12;3*1-2;/h6-7,12H,1,3-5,8-10H2,2H3;;;;/q;3*+1;
InChIKey HGMHUQSIFZRRGL-UHFFFAOYSA-N
Mol Weight 332.18 g/mol
Molecular Formula C16H20FeO4
Exact Mass 332.071095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUXdPx7MAHS
Name (+-)-(3E)-Tricarbonyl[(3,6-.eta.4)-1-cyclohexyl-5-methylhexa-3,5-dien-1-one]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20FeO4
InChI InChI=1S/C13H20O.3CO.Fe/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12;3*1-2;/h6-7,12H,1,3-5,8-10H2,2H3;;;;/q;3*+1;
InChIKey HGMHUQSIFZRRGL-UHFFFAOYSA-N
Molecular Weight 332.177 g/mol
SMILES [C@@]12([Fe]3(C2)([C@]1([C@]3(CC(=O)C1CCCCC1)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-08h9-6690000000-4f16a464c2f7d4894830
Source of Spectrum SO-0-663-2
Wiley ID 874493