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(1'E)-Tricarbonyl [1'-4'-.eta(4).]-2-{ [ (3'-methyl) buta-1',3'-dien-1'-yl)cyclohepentan-1-one] iron (0)
SpectraBase Compound ID 3TuNQzvHW4F
InChI InChI=1S/C10H14O.3CO.Fe/c1-8(2)6-7-9-4-3-5-10(9)11;3*1-2;/h6-7,9H,1,3-5H2,2H3;;;;
InChIKey VMAOHAPKBMTSKC-UHFFFAOYSA-N
Mol Weight 290.1 g/mol
Molecular Formula C13H14FeO4
Exact Mass 290.024145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsNTTMKwXJ6
Name (1'E)-Tricarbonyl [1'-4'-.eta(4).]-2-{ [ (3'-methyl) buta-1',3'-dien-1'-yl)cyclohepentan-1-one] iron (0)
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Formula C13H14FeO4
InChI InChI=1S/C10H14O.3CO.Fe/c1-8(2)6-7-9-4-3-5-10(9)11;3*1-2;/h6-7,9H,1,3-5H2,2H3;;;;
InChIKey VMAOHAPKBMTSKC-UHFFFAOYSA-N
Molecular Weight 290.096 g/mol
SMILES C12([Fe]3(C2)(C1C3C1C(=O)CCC1)(C#[O])(C#[O])C#[O])C
SPLASH splash10-0a59-1390000000-79848ac4541d703fc0a7
Source of Spectrum K-129-431-6
Synonyms 2-[1,1,1-tris(hydroxymethyl)-4-methyl-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]cyclopentan-1-one
Wiley ID 1293228