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[.eta.(5)-Cyclopentadienyl-dicarbonyl-iron]-carbonyl-pentafluorobenzene
SpectraBase Compound ID 8Y8fvrhGAlY
InChI InChI=1S/C7F5O.C5H5.2CO.Fe/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;1-2-4-5-3-1;2*1-2;/h;1-5H;;;
InChIKey KWAHASNGQHDRPA-UHFFFAOYSA-N
Mol Weight 372.03 g/mol
Molecular Formula C14H5F5FeO3
Exact Mass 371.950821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8guT8reZxmr
Name [.eta.(5)-Cyclopentadienyl-dicarbonyl-iron]-carbonyl-pentafluorobenzene
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Formula C14H5F5FeO3
InChI InChI=1S/C7F5O.C5H5.2CO.Fe/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;1-2-4-5-3-1;2*1-2;/h;1-5H;;;
InChIKey KWAHASNGQHDRPA-UHFFFAOYSA-N
Molecular Weight 372.028 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C(c1c(c(F)c(c(c1F)F)F)F)=O)(C#[O])C#[O])[H]
SPLASH splash10-01b9-0965000000-e5e3e4cc5408414e7208
Source of Spectrum F9-1994-937-1
Synonyms 1,1-bis(hydroxymethyl)-1-[(2,3,4,5,6-pentafluorophenyl)carbonyl]-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane eta.(5)-Cyclopentadienyl-dicarbonyl-iron]-carbonyl-pentafluorobenzene {[.eta(5).-Cyclopentadienyl-dicarbonyl]iron}-(carbonyl)-pentafluorobenzene
Wiley ID 1566867