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Tricarbonyl[(1,2,3,4-.eta.-5-phenyl-3-oxopent-4-enyl)cyclobuta-1,3-diene]iron
SpectraBase Compound ID JwCxucxkFQt
InChI InChI=1S/C15H14O.3CO.Fe/c16-15(12-10-14-7-4-8-14)11-9-13-5-2-1-3-6-13;3*1-2;/h1-9,11H,10,12H2;;;;/b11-9+;;;;
InChIKey JNWVTMLSNTXSDJ-ARLMWRGNSA-N
Mol Weight 350.15 g/mol
Molecular Formula C18H14FeO4
Exact Mass 350.024145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LAmphok5X6
Name Tricarbonyl[(1,2,3,4-.eta.-5-phenyl-3-oxopent-4-enyl)cyclobuta-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14FeO4
InChI InChI=1S/C15H14O.3CO.Fe/c16-15(12-10-14-7-4-8-14)11-9-13-5-2-1-3-6-13;3*1-2;/h1-9,11H,10,12H2;;;;/b11-9+;;;;
InChIKey JNWVTMLSNTXSDJ-ARLMWRGNSA-N
Molecular Weight 350.151 g/mol
SMILES [C@]12([Fe]34([C@]2([C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])CCC(\C=C\c1ccccc1)=O
SPLASH splash10-0v0r-9520000000-e714f9843a4027783f93
Source of Spectrum SO-0-1409-17
Wiley ID 876945