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Iron, tricarbonyl[(2,3,4,5-.eta.)-.alpha.-pentyl-2,4,6-cycloheptatriene-1-methanol]-, stereoisomer
SpectraBase Compound ID 6ktqTeRbD7E
InChI InChI=1S/C13H20O.3CO.Fe/c1-2-3-6-11-13(14)12-9-7-4-5-8-10-12;3*1-2;/h4-5,7-10,12-14H,2-3,6,11H2,1H3;;;;
InChIKey QOAZMGSHEMNBKM-UHFFFAOYSA-N
Mol Weight 332.18 g/mol
Molecular Formula C16H20FeO4
Exact Mass 332.071095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zjSQnm5Wet
Name Iron, tricarbonyl[(2,3,4,5-.eta.)-.alpha.-pentyl-2,4,6-cycloheptatriene-1-methanol]-, stereoisomer
CAS Registry Number 124019-79-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20FeO4
InChI InChI=1S/C13H20O.3CO.Fe/c1-2-3-6-11-13(14)12-9-7-4-5-8-10-12;3*1-2;/h4-5,7-10,12-14H,2-3,6,11H2,1H3;;;;
InChIKey QOAZMGSHEMNBKM-UHFFFAOYSA-N
Molecular Weight 332.177 g/mol
SMILES OC(C1C2[Fe]34(C(C4C=C1)C23)(C#[O])(C#[O])C#[O])CCCCC
SPLASH splash10-0005-6931000000-f9c009dfe770ecb383bd
Source of Spectrum C-112-212-0
Synonyms 1-[1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-4-en-3-yl]hexan-1-ol 2,4,6-Cycloheptatriene-1-methanol, .alpha.-pentyl-, iron complex [1-4-.eta.-7-exo-(1-hydroxyhexyl)cycloheptatriene]iron tricarbonyl
Wiley ID 1329180