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Tricarbonyl[(1,2,3,4-.eta.-2-oxocyclohex-3-en-1-yl)methylcyclobuta-1,3-diene]iron
SpectraBase Compound ID 7vdzz5JDq65
InChI InChI=1S/C11H12O.3CO.Fe/c12-11-7-2-1-6-10(11)8-9-4-3-5-9;3*1-2;/h2-5,7,10H,1,6,8H2;;;;
InChIKey SHRLNNNYVUEKSW-UHFFFAOYSA-N
Mol Weight 300.09 g/mol
Molecular Formula C14H12FeO4
Exact Mass 300.008495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wVxLiKnGtl
Name Tricarbonyl[(1,2,3,4-.eta.-2-oxocyclohex-3-en-1-yl)methylcyclobuta-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12FeO4
InChI InChI=1S/C11H12O.3CO.Fe/c12-11-7-2-1-6-10(11)8-9-4-3-5-9;3*1-2;/h2-5,7,10H,1,6,8H2;;;;
InChIKey SHRLNNNYVUEKSW-UHFFFAOYSA-N
Molecular Weight 300.091 g/mol
SMILES [C@]12([Fe]34([C@]2([C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])CC1C(C=CCC1)=O
SPLASH splash10-0006-1950000000-85a49f4414707ea60177
Source of Spectrum SO-0-1409-23
Wiley ID 876942