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(4R,7S,8S,4E,6E)-Tricarbonyliron[(.eta.(4)-4-7)-8-hydroxydeca-4,6-dien-3-one]
SpectraBase Compound ID 8PFeKPtb233
InChI InChI=1S/C10H16O2.3CO.Fe/c1-3-9(11)7-5-6-8-10(12)4-2;3*1-2;/h5-9,11H,3-4H2,1-2H3;;;;/t9-;;;;/m0..../s1
InChIKey YNKPQVSTOMFCRT-ZWACTXNCSA-N
Mol Weight 308.11 g/mol
Molecular Formula C13H16FeO5
Exact Mass 308.03471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOo91oQPExw
Name (4R,7S,8S,4E,6E)-Tricarbonyliron[(.eta.(4)-4-7)-8-hydroxydeca-4,6-dien-3-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16FeO5
InChI InChI=1S/C10H16O2.3CO.Fe/c1-3-9(11)7-5-6-8-10(12)4-2;3*1-2;/h5-9,11H,3-4H2,1-2H3;;;;/t9-;;;;/m0..../s1
InChIKey YNKPQVSTOMFCRT-ZWACTXNCSA-N
Molecular Weight 308.111 g/mol
SMILES O[C@](C1[Fe]23(C(C3C(=O)CC)C12)(C#[O])(C#[O])C#[O])(CC)[H]
SPLASH splash10-0zfs-9430000000-7e00a07ada4d55998846
Source of Spectrum F-54-15574-4
Synonyms 1-[1,1,1-tris(hydroxymethyl)-5-[(1S)-1-hydroxypropyl]-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]propan-1-one
Wiley ID 810111