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Iron, tricarbonyl[(5,6,7,8-.eta.)-6,10-dimethyl-3,5,7,9-undecatetraen-2-one]-, stereoisomer
SpectraBase Compound ID 5S7ow5hCzUn
InChI InChI=1S/C13H18O.3CO.Fe/c1-11(2)7-5-8-12(3)9-6-10-13(4)14;3*1-2;/h5-10H,1-4H3;;;;/b10-6+;;;;
InChIKey CMNGAEGKDYIHOU-MFFFABBQSA-N
Mol Weight 330.16 g/mol
Molecular Formula C16H18FeO4
Exact Mass 330.055445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r6i7lt1llg
Name Iron, tricarbonyl[(5,6,7,8-.eta.)-6,10-dimethyl-3,5,7,9-undecatetraen-2-one]-, stereoisomer
CAS Registry Number 122252-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18FeO4
InChI InChI=1S/C13H18O.3CO.Fe/c1-11(2)7-5-8-12(3)9-6-10-13(4)14;3*1-2;/h5-10H,1-4H3;;;;/b10-6+;;;;
InChIKey CMNGAEGKDYIHOU-MFFFABBQSA-N
Molecular Weight 330.161 g/mol
SMILES C12([Fe]3(C2\C=C\C(=O)C)(C1C3C=C(C)C)(C#[O])(C#[O])C#[O])C
SPLASH splash10-052g-9250000000-5e2ef30aba208a8c0cda
Source of Spectrum H-71-1139-51
Synonyms (3E)-4-[1,1,1-tris(hydroxymethyl)-3-methyl-5-(2-methylprop-1-en-1-yl)-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]but-3-en-2-one 3,5,7,9-Undecatetraen-2-one, 6,10-dimethyl-, iron complex, (E,E,E)- Tricarbonyl[5-8.eta.-(3E,5E,7E)-6,10-dimethyl-3,5,7,9-undecatetraen-2-one]iron
Wiley ID 1327618