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Tricarbonyl[(1,2,3,4-.eta.-3-cyclohex-1-en-1-yl-3-oxopyopyl)cyclobuta-1,3-diene]iron
SpectraBase Compound ID GjRimBRBmGm
InChI InChI=1S/C13H16O.3CO.Fe/c14-13(10-9-11-5-4-6-11)12-7-2-1-3-8-12;3*1-2;/h4-7H,1-3,8-10H2;;;;
InChIKey KFXGWJXWHSSOAX-UHFFFAOYSA-N
Mol Weight 328.15 g/mol
Molecular Formula C16H16FeO4
Exact Mass 328.039795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CgYmTpuIcZ
Name Tricarbonyl[(1,2,3,4-.eta.-3-cyclohex-1-en-1-yl-3-oxopyopyl)cyclobuta-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16FeO4
InChI InChI=1S/C13H16O.3CO.Fe/c14-13(10-9-11-5-4-6-11)12-7-2-1-3-8-12;3*1-2;/h4-7H,1-3,8-10H2;;;;
InChIKey KFXGWJXWHSSOAX-UHFFFAOYSA-N
Molecular Weight 328.145 g/mol
SMILES [C@]12([Fe]34([C@]2([C@@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])CCC(C1=CCCCC1)=O
SPLASH splash10-05x1-9330000000-247173d9ec1e50d4dfd0
Source of Spectrum SO-0-1409-21
Wiley ID 876943