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(3S,4E,6E)-Tricarbonyliron[(.eta.(4)-4-7)-4,6-octadien-3-one]
SpectraBase Compound ID 2YCifDF8hLk
InChI InChI=1S/C8H12O.3CO.Fe/c1-3-5-6-7-8(9)4-2;3*1-2;/h3,5-7H,4H2,1-2H3;;;;
InChIKey IZAXOYDVVFGMLT-UHFFFAOYSA-N
Mol Weight 264.06 g/mol
Molecular Formula C11H12FeO4
Exact Mass 264.008495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QYuak2iAL5
Name (3S,4E,6E)-Tricarbonyliron[(.eta.(4)-4-7)-4,6-octadien-3-one]
Alternate Name(s) 1-[1,1,1-tris(hydroxymethyl)-5-methyl-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12FeO4
InChI InChI=1S/C8H12O.3CO.Fe/c1-3-5-6-7-8(9)4-2;3*1-2;/h3,5-7H,4H2,1-2H3;;;;
InChIKey IZAXOYDVVFGMLT-UHFFFAOYSA-N
Molecular Weight 264.058 g/mol
SMILES C12[Fe]3(C2C(=O)CC)(C1C3C)(C#[O])(C#[O])C#[O]
SPLASH splash10-066r-0190000000-2e2ef051cca0f76a8be8
Source of Spectrum F-54-15577-13
Wiley ID 810103