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Iron, tricarbonyl[(5,6,7,8-.eta.)-1,2,3,4,4a,4b,8a,8b-octahydrobiphenylene]-, stereoisomer
SpectraBase Compound ID 9Ap8ELP5g8l
InChI InChI=1S/C12H16.3CO.Fe/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;3*1-2;/h1-2,5-6,9-12H,3-4,7-8H2;;;;
InChIKey UFCOJPJMRALRHA-UHFFFAOYSA-N
Mol Weight 296.103 g/mol
Molecular Formula C15H12FeO3
Exact Mass 296.01358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1CQlfhwBRc
Name Iron, tricarbonyl[(5,6,7,8-.eta.)-1,2,3,4,4a,4b,8a,8b-octahydrobiphenylene]-, stereoisomer
Alternate Name(s) 1,2,3,4-bis-cyclohexenocyclobutadiene-iron-tricarbonyl Dodecahydrobiphenylene-1,2,3,4-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl[(5,6,7,8-eta)-1,2,3,4,4a,4b,8a,8b-octahydrobiphenylene]-, stereoisomer
CAS Registry Number 41447-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16FeO3
InChI InChI=1S/C12H16.3CO.Fe/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;3*1-2;/h1-2,5-6,9-12H,3-4,7-8H2;;;;
InChIKey UFCOJPJMRALRHA-UHFFFAOYSA-N
Molecular Weight 296.103 g/mol
SMILES [Fe].C12C(C3[C][C][C][C]C23)CCCC1.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-03di-3590000000-519a80d11c9149060a54
Source of Spectrum EP-6709-0-0
Wiley ID 1302610