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Iron, tricarbonyl[(2,3,4,5-.eta.)-2-chloro-4,5-dimethyl-2,4-cyclohexadien-1-one]-
SpectraBase Compound ID Ku9z8KVtaCo
InChI InChI=1S/C8H9ClO.3CO.Fe/c1-5-3-7(9)8(10)4-6(5)2;3*1-2;/h3H,4H2,1-2H3;;;;
InChIKey INWMAUNFPMNJDB-UHFFFAOYSA-N
Mol Weight 295.479 g/mol
Molecular Formula C11H8ClFeO4
Exact Mass 294.946047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1a9I30S6w1
Name Iron, tricarbonyl[(2,3,4,5-.eta.)-2-chloro-4,5-dimethyl-2,4-cyclohexadien-1-one]-
Alternate Name(s) 4-Chloro-1,2-dimethyl-5-oxocyclohexane-1,2,3,4-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl-.pi.-(2-chloro-4,5-dimethyl-cyclohexadienone) Iron, tricarbonyl[(2,3,4,5-eta)-2-chloro-4,5-dimethyl-2,4-cyclohexadien-1-one]-
CAS Registry Number 59688-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClFeO4
InChI InChI=1S/C8H9ClO.3CO.Fe/c1-5-3-7(9)8(10)4-6(5)2;3*1-2;/h3H,4H2,1-2H3;;;;
InChIKey INWMAUNFPMNJDB-UHFFFAOYSA-N
Molecular Weight 295.479 g/mol
SMILES [Fe].C1(C[C]([C](C)[C][C]1Cl)C)=O.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-002g-9540000000-c18b34a4eba68ea4f959
Source of Spectrum HE-1982-0-0
Wiley ID 1298601