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 Google Search
Mol Weight	201.07 g/mol
Molecular Formula	C11H112DFe
Exact Mass	201.035113 g/mol

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SpectraBase Spectrum ID	2wdoIUg6hbp
Name	Iron, [(1,2,3,4,5-.eta.)-2,4-cyclohexadien-1-yl-6-d](.eta.5-2,4-cyclopentad ien-1-yl)-
Alternate Name(s)	(.eta.-Deuteriocyclohexadienyl)(cyclopentadienyl)iron Iron, cyclohexadienyl-D-cyclopentadienyl-
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	splash10-0udi-0290000000-83e6f7ea946891036751
Source of Spectrum	AG-96-266-0
Wiley ID	1197652