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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
Mol Weight 346.2 g/mol
Molecular Formula C17H22FeO4
Exact Mass 346.086745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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
Synonyms 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
Wiley ID 1339105