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Iron, tricarbonyl-[1,4,5,6-.eta.-E4-hex-4-ene-1,6-diyl-(exo)-carboxylic acid, methyl ester]
SpectraBase Compound ID 5Ndfpeci31T
InChI InChI=1S/C8H12O2.3CO.Fe/c1-3-4-5-6-7-8(9)10-2;3*1-2;/h3-4,7H,1,5-6H2,2H3;;;;
InChIKey MUGDQNMRYKDZSW-UHFFFAOYSA-N
Mol Weight 277.033 g/mol
Molecular Formula C11H9FeO5
Exact Mass 276.979934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfCsRKJajfJ
Name Iron, tricarbonyl-[1,4,5,6-.eta.-E4-hex-4-ene-1,6-diyl-(exo)-carboxylic acid, methyl ester]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FeO5
InChI InChI=1S/C8H12O2.3CO.Fe/c1-3-4-5-6-7-8(9)10-2;3*1-2;/h3-4,7H,1,5-6H2,2H3;;;;
InChIKey MUGDQNMRYKDZSW-UHFFFAOYSA-N
Molecular Weight 277.033 g/mol
SMILES [CH][C][C]CCC([Fe])C(=O)OC.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-06u2-9800000000-4129867ba1a1fa60803c
Source of Spectrum HE-1982-0-0
Wiley ID 1283385