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Tricarbonyl[(1,2,3,4-.eta.)-5.alpha.-(5'-formyl-2'-methoxyphenyl)-1,3-cyclohexadiene]iron(0)
SpectraBase Compound ID 2kShQeBDMZy
InChI InChI=1S/C14H14O2.3CO.Fe/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12;3*1-2;/h2-5,7-10,12H,6H2,1H3;;;;
InChIKey OGEORDODNOAJQF-UHFFFAOYSA-N
Mol Weight 354.14 g/mol
Molecular Formula C17H14FeO5
Exact Mass 354.01906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5R2cGZJpnua
Name Tricarbonyl[(1,2,3,4-.eta.)-5.alpha.-(5'-formyl-2'-methoxyphenyl)-1,3-cyclohexadiene]iron(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14FeO5
InChI InChI=1S/C14H14O2.3CO.Fe/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12;3*1-2;/h2-5,7-10,12H,6H2,1H3;;;;
InChIKey OGEORDODNOAJQF-UHFFFAOYSA-N
Molecular Weight 354.139 g/mol
SMILES [C@@]12([Fe]34([C@@]2(C(c2c(ccc(c2)C=O)OC)C[C@]4([C@@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-0udj-0090000000-51c5b94ab481b93d457c
Source of Spectrum AU-668-114-11
Wiley ID 1575514