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Iron, tricarbonyl[(O,1,2,3-.eta.)-methyl 2-propenoate]-
SpectraBase Compound ID JJNKtPO5J5w
InChI InChI=1S/C4H7O2.3CO.Fe/c1-3-4(5)6-2;3*1-2;/h3,5H,1H2,2H3;;;;/q-3;;;;+3
InChIKey OOGWADFAUXSNBD-UHFFFAOYSA-N
Mol Weight 226.973 g/mol
Molecular Formula C7H7FeO5
Exact Mass 226.964284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Tqd6A9SHQ
Name Iron, tricarbonyl[(O,1,2,3-.eta.)-methyl 2-propenoate]-
Alternate Name(s) Eisen, acrylsaeuremethylester-tricarbonyl iron(3+) ion 3-hydroxy-3-methoxypropane-1,2,3-triide tris(methanidylidyneoxidanium) Iron, acrylic acid methylester-tricarbonyl Iron, tricarbonyl[(o,1,2,3-eta)-methyl 2-propenoate]-
CAS Registry Number 51922-76-0
Comments Note: The molecular formula of the structure shown is C7H7FeO5 - which differs from the formula reported for the mass spectrum (C7H6FeO5)
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Formula C7H6FeO5
InChI InChI=1S/C4H7O2.3CO.Fe/c1-3-4(5)6-2;3*1-2;/h3,5H,1H2,2H3;;;;/q-3;;;;+3
InChIKey OOGWADFAUXSNBD-UHFFFAOYSA-N
Molecular Weight 226.973 g/mol
SMILES O[C-](OC)[CH-][CH2-].[Fe+3].[C-]#[O+].[C-]#[O+].[C-]#[O+]
SPLASH splash10-056r-9000000000-7b93699b01714d7a7c05
Source of Spectrum HE-1982-0-0
Wiley ID 1226729