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Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)(pentafluorophenyl)-
SpectraBase Compound ID GgDTRCXCBaY
InChI InChI=1S/C6F5.C5H5.2CO.Fe/c7-2-1-3(8)5(10)6(11)4(2)9;1-2-4-5-3-1;2*1-2;/h;1-5H;;;
InChIKey IMBJPIYGPQGAJF-UHFFFAOYSA-N
Mol Weight 344.02 g/mol
Molecular Formula C13H5F5FeO2
Exact Mass 343.955906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMimM3KBknu
Name Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)(pentafluorophenyl)-
CAS Registry Number 12176-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H5F5FeO2
InChI InChI=1S/C6F5.C5H5.2CO.Fe/c7-2-1-3(8)5(10)6(11)4(2)9;1-2-4-5-3-1;2*1-2;/h;1-5H;;;
InChIKey IMBJPIYGPQGAJF-UHFFFAOYSA-N
Molecular Weight 344.018 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(c1c(c(F)c(c(c1F)F)F)F)(C#[O])C#[O])[H]
SPLASH splash10-014u-3921000000-b317c22613b16d760090
Source of Spectrum EP-4369-0-0
Synonyms 1,1-bis(hydroxymethyl)-1-(2,3,4,5,6-pentafluorophenyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane Iron, dicarbonyl-.pi.-cyclopentadienyl(pentafluorophenyl)- pi-cyclopentadienyl-pentafluorophenyl-dicarbonyl iron
Wiley ID 1337545