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(2S)-Tricarbonyl(3-methyl-2,4-nonadiene-1-ol)iron
SpectraBase Compound ID 2D0p7YNKSRa
InChI InChI=1S/C10H18O.3CO.Fe/c1-3-4-5-6-7-10(2)8-9-11;3*1-2;/h6-8,11H,3-5,9H2,1-2H3;;;;
InChIKey INFMEDNUSLJJKU-UHFFFAOYSA-N
Mol Weight 294.13 g/mol
Molecular Formula C13H18FeO4
Exact Mass 294.055445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FGsH30PWPp
Name (2S)-Tricarbonyl(3-methyl-2,4-nonadiene-1-ol)iron
Alternate Name(s) [(2S)-5-butyl-1,1,1-tris(hydroxymethyl)-3-methyl-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18FeO4
InChI InChI=1S/C10H18O.3CO.Fe/c1-3-4-5-6-7-10(2)8-9-11;3*1-2;/h6-8,11H,3-5,9H2,1-2H3;;;;
InChIKey INFMEDNUSLJJKU-UHFFFAOYSA-N
Molecular Weight 294.128 g/mol
SMILES OC[C@@]1([Fe]23(C1(C)C3C2CCCC)(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-03dr-0090000000-26a6e1953357365506fc
Source of Spectrum QC-5-1680-13
Wiley ID 883751