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2,4,6-Heptatrienal, iron complex, (E,E)-
SpectraBase Compound ID JxNCKom51GB
InChI InChI=1S/C7H8O.3CO.Fe/c1-2-3-4-5-6-7-8;3*1-2;/h2-7H,1H2;;;;/b6-5+;;;;
InChIKey IWLRFYFAGKEXPN-WPYDVODASA-N
Mol Weight 248.02 g/mol
Molecular Formula C10H8FeO4
Exact Mass 247.977195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AE40xP36xOd
Name 2,4,6-Heptatrienal, iron complex, (E,E)-
CAS Registry Number 68949-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8FeO4
InChI InChI=1S/C7H8O.3CO.Fe/c1-2-3-4-5-6-7-8;3*1-2;/h2-7H,1H2;;;;/b6-5+;;;;
InChIKey IWLRFYFAGKEXPN-WPYDVODASA-N
Molecular Weight 248.015 g/mol
SMILES C12[Fe]3(C2\C=C\C=O)(C1C3)(C#[O])(C#[O])C#[O]
SPLASH splash10-053r-2900000000-1dabda5099349c78a910
Source of Spectrum K-111-3936-0
Synonyms Iron, tricarbonyl[(4,5,6,7-.eta.)-2,4,6-heptatrienal]-, stereoisomer (2E)-3-[1,1,1-tris(hydroxymethyl)-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]prop-2-enal Tricarbonyl(4-7-.eta.-Hepta-2,4,6-trienal)iron
Wiley ID 1250466