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Iron, tricarbonyl[(1,2,3,4-.eta.)-4a,4b,6,7,8,9,9a,9b-octahydro-5H-benzo[3,4]cyclobuta[1,2]cycloheptene]-
SpectraBase Compound ID ApDJNl5PTIw
InChI InChI=1S/C13H18.3CO.Fe/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13;3*1-2;/h4-5,8-13H,1-3,6-7H2;;;;/q-4;;;;
InChIKey ZOUNOIBJMTYDDO-UHFFFAOYSA-N
Mol Weight 314.162 g/mol
Molecular Formula C16H18FeO3
Exact Mass 314.06053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOsEgmUwtB6
Name Iron, tricarbonyl[(1,2,3,4-.eta.)-4a,4b,6,7,8,9,9a,9b-octahydro-5H-benzo[3,4]cyclobuta[1,2]cycloheptene]-
CAS Registry Number 56784-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18FeO3
InChI InChI=1S/C13H18.3CO.Fe/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13;3*1-2;/h4-5,8-13H,1-3,6-7H2;;;;/q-4;;;;
InChIKey ZOUNOIBJMTYDDO-UHFFFAOYSA-N
Molecular Weight 314.162 g/mol
SMILES C1CCC2C(CC1)C1[CH-][CH-][CH-][CH-]C21.[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+]
SPLASH splash10-00or-1930000000-8897062d1efdf43b249e
Source of Spectrum EP-6713-0-0
Synonyms 1,2-Cyclohepteno-3,4-cyclohexeno-cyclobutadiene-iron-tricarbonyl Iron, tricarbonyl[(1,2,3,4-eta)-4a,4b,6,7,8,9,9a,9b-octahydro-5H-benzo[3,4]cyclobuta[1,2]cycloheptene]- Tris(methanidylidyneoxidanium) tricyclo[6.5.0.0(2,7)]tridecane-3,4,5,6-tetraide iron
Wiley ID 1314879