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Iron, tricarbonyl[(2,3,5,6-.eta.)-2,3,5,6-tetramethyl-7,8-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5,7-triene]-
SpectraBase Compound ID AuhtcTarVh6
InChI InChI=1S/C14H14F6.3CO.Fe/c1-5-6(2)10-8(4)7(3)9(5)11(13(15,16)17)12(10)14(18,19)20;3*1-2;/h9-10H,1-4H3;;;;/q-4;;;;/t9-,10+;;;;
InChIKey IBDMSRWVDCHAFP-GUQANJBTSA-N
Mol Weight 436.132 g/mol
Molecular Formula C17H14F6FeO3
Exact Mass 436.019649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PVrjCHPd1H
Name Iron, tricarbonyl[(2,3,5,6-.eta.)-2,3,5,6-tetramethyl-7,8-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5,7-triene]-
CAS Registry Number 55493-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F6FeO3
InChI InChI=1S/C14H14F6.3CO.Fe/c1-5-6(2)10-8(4)7(3)9(5)11(13(15,16)17)12(10)14(18,19)20;3*1-2;/h9-10H,1-4H3;;;;/q-4;;;;/t9-,10+;;;;
InChIKey IBDMSRWVDCHAFP-GUQANJBTSA-N
Molecular Weight 436.132 g/mol
SMILES [Fe].C=1([C@]2([C-](C)[C-]([C@]([C-](C)[C-]2C)(C1C(F)(F)F)[H])C)[H])C(F)(F)F.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-0udi-4492000000-d8b3ab71a0de849d01dc
Source of Spectrum AD-0-2803-0
Synonyms .pi.-(2,3-bis(trifluoromethyl)-5,6,7,8-tetramethylbicyclo(2.2.2)-octa-2,5,7-trienyl)-tricarbonyliron 2,3,5,6-tetramethyl-7,8-bis(trifluoromethyl)bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl[(2,3,5,6-eta)-2,3,5,6-tetramethyl-7,8-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5,7-triene]-
Wiley ID 59809