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Iron, [(1,2,3,4,5-.eta.)-2,4-cyclohexadien-1-yl-6-d](.eta.5-2,4-cyclopentad ien-1-yl)-
SpectraBase Compound ID IVsMTFAFM6b
InChI InChI=1S/C6H7.C5H5.Fe/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H,6H2;1-5H;/i6D;;
InChIKey DVODIMSGRXUABQ-VCTVCYILSA-N
Mol Weight 201.07 g/mol
Molecular Formula C11H112DFe
Exact Mass 201.035113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95xWDLGI2xL
Name Iron, [(1,2,3,4,5-.eta.)-2,4-cyclohexadien-1-yl-6-d](.eta.5-2,4-cyclopentad ien-1-yl)-
CAS Registry Number 39529-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11DFe
InChI InChI=1S/C6H7.C5H5.Fe/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H,6H2;1-5H;/i6D;;
InChIKey DVODIMSGRXUABQ-VCTVCYILSA-N
Molecular Weight 201.068 g/mol
SMILES [C@]12([Fe]3456789([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])[C@]1([C@]6([C@]7([C@@]([2D])([C@]8([C@]91[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-0fe0-0940000000-e8520ccd9dc22ed80546
Source of Spectrum AG-96-266-1
Synonyms (.eta.-Deuteriocyclohexadienyl)(cyclopentadienyl)iron Iron, cyclohexadienyl-D-cyclopentadienyl-
Wiley ID 1197651