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Iron, tricarbonyl[(2,3,4,5-.eta.)-.alpha.,.alpha.-dimethyl-2,4,6-cycloheptatriene-1-methanol]-, stereoisomer
SpectraBase Compound ID BTLksujP7R8
InChI InChI=1S/C10H14O.3CO.Fe/c1-10(2,11)9-7-5-3-4-6-8-9;3*1-2;/h3-9,11H,1-2H3;;;;
InChIKey BVGFASFRIXUUGC-UHFFFAOYSA-N
Mol Weight 290.1 g/mol
Molecular Formula C13H14FeO4
Exact Mass 290.024145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMsXXjX2MjD
Name Iron, tricarbonyl[(2,3,4,5-.eta.)-.alpha.,.alpha.-dimethyl-2,4,6-cycloheptatriene-1-methanol]-, stereoisomer
CAS Registry Number 123933-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FeO4
InChI InChI=1S/C10H14O.3CO.Fe/c1-10(2,11)9-7-5-3-4-6-8-9;3*1-2;/h3-9,11H,1-2H3;;;;
InChIKey BVGFASFRIXUUGC-UHFFFAOYSA-N
Molecular Weight 290.096 g/mol
SMILES OC(C1C2[Fe]34(C(C4C=C1)C23)(C#[O])(C#[O])C#[O])(C)C
SPLASH splash10-0005-8930000000-842e358ca432ac3f19a6
Source of Spectrum C-112-211-2
Synonyms (1-4-.eta.-7-exo-Isobutyrylcycloheptatriene)iron tricarbonyl 2,4,6-Cycloheptatriene-1-methanol, .alpha.,.alpha.-dimethyl-, iron complex 2-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-4-en-3-yl]propan-2-ol
Wiley ID 1293227