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(2R,5S,6S,2E,4E)-Tricarbonyliron[(.eta.(4)-2-5)-2,4-octadien-1,6-diol]
SpectraBase Compound ID 9a0IAbzOn86
InChI InChI=1S/C8H14O2.3CO.Fe/c1-2-8(10)6-4-3-5-7-9;3*1-2;/h3-6,8-10H,2,7H2,1H3;;;;/t8-;;;;/m0..../s1
InChIKey BIEMSVUEXVWWSZ-USHJOAKVSA-N
Mol Weight 282.07 g/mol
Molecular Formula C11H14FeO5
Exact Mass 282.01906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ihh5vaVz6FI
Name (2R,5S,6S,2E,4E)-Tricarbonyliron[(.eta.(4)-2-5)-2,4-octadien-1,6-diol]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14FeO5
InChI InChI=1S/C8H14O2.3CO.Fe/c1-2-8(10)6-4-3-5-7-9;3*1-2;/h3-6,8-10H,2,7H2,1H3;;;;/t8-;;;;/m0..../s1
InChIKey BIEMSVUEXVWWSZ-USHJOAKVSA-N
Molecular Weight 282.073 g/mol
SMILES O[C@](C1C2[Fe]11(C(CO)C21)(C#[O])(C#[O])C#[O])(CC)[H]
SPLASH splash10-004i-9010000000-dbd345481a50e748c24e
Source of Spectrum F-54-15574-5
Wiley ID 810110