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Iron, tetracarbonylbis(.eta.5-2,4-cyclopentadien-1-yl)[.mu.-(2,3,5,6-tetrafluoro-1,4-phenylene)]di-
SpectraBase Compound ID 6D5hH2949GV
InChI InChI=1S/C6F4.2C5H5.4CO.2Fe/c7-3-1-4(8)6(10)2-5(3)9;2*1-2-4-5-3-1;4*1-2;;/h;2*1-5H;;;;;;
InChIKey MQTMXLGDSOQVMP-UHFFFAOYSA-N
Mol Weight 501.98 g/mol
Molecular Formula C20H10F4Fe2O4
Exact Mass 501.921393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9c8bDH6HRE8
Name Iron, tetracarbonylbis(.eta.5-2,4-cyclopentadien-1-yl)[.mu.-(2,3,5,6-tetrafluoro-1,4-phenylene)]di-
Alternate Name(s) 1,4-Bis(cyclopentadienyliron dicarbonyl)tetrafluorobenzene 1-{4-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-2,3,5,6-tetrafluorophenyl}-1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane
CAS Registry Number 37366-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10F4Fe2O4
InChI InChI=1S/C6F4.2C5H5.4CO.2Fe/c7-3-1-4(8)6(10)2-5(3)9;2*1-2-4-5-3-1;4*1-2;;/h;2*1-5H;;;;;;
InChIKey MQTMXLGDSOQVMP-UHFFFAOYSA-N
Molecular Weight 501.980 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(c1c(c(c([Fe]2345([C@]6([C@@]4([C@@]5([C@@]2([C@@]36[H])[H])[H])[H])[H])(C#[O])C#[O])c(c1F)F)F)F)(C#[O])C#[O])[H]
SPLASH splash10-0005-0079700000-3becb60c5bd1d5458319
Source of Spectrum O6-0-1283-0
Wiley ID 1399121