Iron, tricarbonyl[(1,2,3,4-.eta.)-1,3-dimethyl-1,3-cyclohexadiene]-

SpectraBase Compound ID	7SAPaRmPHVl
InChI	InChI=1S/C8H12.3CO.Fe/c1-7-4-3-5-8(2)6-7;3*1-2;/h4,6H,3,5H2,1-2H3;;;;
InChIKey	SEHXGCXNANEUFH-UHFFFAOYSA-N Google Search
Mol Weight	248.06 g/mol
Molecular Formula	C11H12FeO3
Exact Mass	248.01358 g/mol

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SpectraBase Spectrum ID	6wRaNbF86q6
Name	Iron, tricarbonyl[(1,2,3,4-.eta.)-1,3-dimethyl-1,3-cyclohexadiene]-
Alternate Name(s)	1,1,1-tris(hydroxymethyl)-2,6-dimethyl-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptane 1,3-Cyclohexadiene, 1,3-dimethyl-, iron complex Tricarbonyl[(1,2,3,4-.eta.)-1,3-dimethyl-1,3-cyclohexadiene]iron
CAS Registry Number	88077-21-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H12FeO3
InChI	InChI=1S/C8H12.3CO.Fe/c1-7-4-3-5-8(2)6-7;3*1-2;/h4,6H,3,5H2,1-2H3;;;;
InChIKey	SEHXGCXNANEUFH-UHFFFAOYSA-N
Molecular Weight	248.059 g/mol
SMILES	[C@]12([Fe]34([C@]2(CC[C@]4(C)[C@]13[H])[H])(C#[O])(C#[O])C#[O])C
SPLASH	splash10-08fr-5920000000-dc3e1c921fc304c8e86f
Source of Spectrum	K-119-175-9
Wiley ID	1250601