Iron, tricarbonyl[1-[(2,3,4,5-.eta.)-1-methyl-2,4,6-cycloheptatrien-1-yl]ethanone]-, stereoisomer

SpectraBase Compound ID	IctcocuAFiu
InChI	InChI=1S/C10H12O.3CO.Fe/c1-9(11)10(2)7-5-3-4-6-8-10;3*1-2;/h3-8H,1-2H3;;;;
InChIKey	HWWRIBVINDVIFA-UHFFFAOYSA-N Google Search
Mol Weight	288.08 g/mol
Molecular Formula	C13H12FeO4
Exact Mass	288.008495 g/mol

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SpectraBase Spectrum ID	1Xc9mQo5I4g
Name	Iron, tricarbonyl[1-[(2,3,4,5-.eta.)-1-methyl-2,4,6-cycloheptatrien-1-yl]ethanone]-, stereoisomer
CAS Registry Number	123933-74-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H12FeO4
InChI	InChI=1S/C10H12O.3CO.Fe/c1-9(11)10(2)7-5-3-4-6-8-10;3*1-2;/h3-8H,1-2H3;;;;
InChIKey	HWWRIBVINDVIFA-UHFFFAOYSA-N
Molecular Weight	288.080 g/mol
SMILES	[C@]12([Fe]34([C@]2(C(C(=O)C)(C)C=C[C@]4([C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH	splash10-001i-0960000000-0205c333ce77a12f53dd
Source of Spectrum	C-112-213-0
Synonyms	(1,4-.eta.7-exo-methyl-7-endo-acetylcycloheptatriene)iron tricarbonyl 1-[1,1,1-tris(hydroxymethyl)-3-methyl-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-4-en-3-yl]ethan-1-one Ethanone, 1-(1-methyl-2,4,6-cycloheptatrien-1-yl)-, iron complex
Wiley ID	1291378