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Tricarbonyl-[Methyl (8S)-8-hydroxy-9-methyldeca-2,4,6,9-tetraene-1-carboxylate]iron
SpectraBase Compound ID BypIrXhzfzr
InChI InChI=1S/C12H16O3.3CO.Fe/c1-10(2)11(13)8-6-4-5-7-9-12(14)15-3;3*1-2;/h4-9,11,13H,1H2,2-3H3;;;;/b9-7+;;;;/t11-;;;;/m0..../s1
InChIKey ODSAJKLIFVPWBJ-SWTLWNKKSA-N
Mol Weight 348.13 g/mol
Molecular Formula C15H16FeO6
Exact Mass 348.029624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Kd2vQPEHve
Name Tricarbonyl-[Methyl (8S)-8-hydroxy-9-methyldeca-2,4,6,9-tetraene-1-carboxylate]iron
Alternate Name(s) Methyl (2E)-3-{5-[(1R)-1-hydroxy-2-methylprop-2-en-1-yl]-1,1,1-tris(hydroxymethyl)-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl}prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16FeO6
InChI InChI=1S/C12H16O3.3CO.Fe/c1-10(2)11(13)8-6-4-5-7-9-12(14)15-3;3*1-2;/h4-9,11,13H,1H2,2-3H3;;;;/b9-7+;;;;/t11-;;;;/m0..../s1
InChIKey ODSAJKLIFVPWBJ-SWTLWNKKSA-N
Molecular Weight 348.132 g/mol
SMILES O[C@@](C1[Fe]23(C1C3C2\C=C\C(=O)OC)(C#[O])(C#[O])C#[O])(C(=C)C)[H]
SPLASH splash10-01ot-0090000000-bab7afa7e4052f5192af
Source of Spectrum AC-1992-57-28
Wiley ID 748061