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Tricarbonyl[(1,2,3,4-.eta.-3-oxohex-4-enyl)cyclobuta-1,3-diene]iron
SpectraBase Compound ID 2FROB5ytaEK
InChI InChI=1S/C10H12O.3CO.Fe/c1-2-4-10(11)8-7-9-5-3-6-9;3*1-2;/h2-6H,7-8H2,1H3;;;;/b4-2+;;;;
InChIKey FRTLIHDCMWYJGZ-CUTPBRJFSA-N
Mol Weight 288.08 g/mol
Molecular Formula C13H12FeO4
Exact Mass 288.008495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y8LApIoGUi
Name Tricarbonyl[(1,2,3,4-.eta.-3-oxohex-4-enyl)cyclobuta-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12FeO4
InChI InChI=1S/C10H12O.3CO.Fe/c1-2-4-10(11)8-7-9-5-3-6-9;3*1-2;/h2-6H,7-8H2,1H3;;;;/b4-2+;;;;
InChIKey FRTLIHDCMWYJGZ-CUTPBRJFSA-N
Molecular Weight 288.080 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\C)=O
SPLASH splash10-005a-5930000000-00a0bfe956523559c1ce
Source of Spectrum SO-0-1409-13
Wiley ID 876947