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1,3-Cycloheptadiene, iron complex
SpectraBase Compound ID 9AC9BIO0RED
InChI InChI=1S/C7H10.3CO.Fe/c1-2-4-6-7-5-3-1;3*1-2;/h1-4H,5-7H2;;;;
InChIKey IIZRLLCOANSZOE-UHFFFAOYSA-N
Mol Weight 230.0 g/mol
Molecular Formula C10H6FeO3
Exact Mass 229.96663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FU5TfUf8fy7
Name 1,3-Cycloheptadiene, iron complex
CAS Registry Number 40674-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10FeO3
InChI InChI=1S/C7H10.3CO.Fe/c1-2-4-6-7-5-3-1;3*1-2;/h1-4H,5-7H2;;;;
InChIKey IIZRLLCOANSZOE-UHFFFAOYSA-N
Molecular Weight 234.032 g/mol
SMILES [C@@]12([Fe]34([C@@]2(CCC[C@]4([C@@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-052b-7910000000-a71e4104c8f3320906ab
Synonyms Iron, tricarbonyl[(1,2,3,4-.eta.)-1,3-cycloheptadiene]- Carbon monoxide; cyclohepta-1,3-diene; iron eta.(4)-Cyclohepta-1,3-diene)tricarbonyliron Tricarbonyl(1,3-cycloheptadiene)iron [.eta.(4)-Cyclohepta-1,3-diene)tricarbonyliron
Wiley ID 1503820