Iron, [(2,3,4,5-.eta.)-.alpha.-butyl-.alpha.-ethyl-2,4,6-cycloheptatriene-1-methanol]tricarbonyl-, stereoisomer

SpectraBase Compound ID	HcNDwFHppzK
InChI	InChI=1S/C14H22O.3CO.Fe/c1-3-5-12-14(15,4-2)13-10-8-6-7-9-11-13;3*1-2;/h6-11,13,15H,3-5,12H2,1-2H3;;;;
InChIKey	GHLPFUPXWZZSIU-UHFFFAOYSA-N Google Search
Mol Weight	346.2 g/mol
Molecular Formula	C17H22FeO4
Exact Mass	346.086745 g/mol

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SpectraBase Spectrum ID	KCDuPGhpLbL
Name	Iron, [(2,3,4,5-.eta.)-.alpha.-butyl-.alpha.-ethyl-2,4,6-cycloheptatriene-1-methanol]tricarbonyl-, stereoisomer
Alternate Name(s)	2,4,6-Cycloheptatriene-1-methanol, .alpha.-butyl-.alpha.-ethyl-, iron complex 3-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-4-en-3-yl]heptan-3-ol [1-4-.eta.-7-exo-(1-hydroxy-1-ethylpentyl)cycloheptatriene]iron tricarbonyl
CAS Registry Number	124019-81-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22FeO4
InChI	InChI=1S/C14H22O.3CO.Fe/c1-3-5-12-14(15,4-2)13-10-8-6-7-9-11-13;3*1-2;/h6-11,13,15H,3-5,12H2,1-2H3;;;;
InChIKey	GHLPFUPXWZZSIU-UHFFFAOYSA-N
Molecular Weight	346.204 g/mol
SMILES	OC(C1C2[Fe]34(C(C4C=C1)C23)(C#[O])(C#[O])C#[O])(CC)CCCC
SPLASH	splash10-01oy-4930000000-1d3a3bd49159d00d1c2a
Source of Spectrum	C-112-212-0
Wiley ID	1339105