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Iron, tricarbonyl[(1,2,3,4-.eta.)-1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene]-
SpectraBase Compound ID 8kaK1trZR0W
InChI InChI=1S/C10H16.3CO.Fe/c1-8(2)10-6-4-9(3)5-7-10;3*1-2;/h4,6,8H,5,7H2,1-3H3;;;;
InChIKey RSWBZULZBDARNG-UHFFFAOYSA-N
Mol Weight 274.1 g/mol
Molecular Formula C13H14FeO3
Exact Mass 274.02923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2055cdmKtXe
Name Iron, tricarbonyl[(1,2,3,4-.eta.)-1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene]-
CAS Registry Number 51509-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16FeO3
InChI InChI=1S/C10H16.3CO.Fe/c1-8(2)10-6-4-9(3)5-7-10;3*1-2;/h4,6,8H,5,7H2,1-3H3;;;;
InChIKey RSWBZULZBDARNG-UHFFFAOYSA-N
Molecular Weight 274.097 g/mol
SMILES [Fe].[O+]#[C-].[O+]#[C-].[O+]#[C-].[C]1(CC[C]([C][C]1)C)C(C)C
SPLASH splash10-00kf-3910000000-2368b94545c282d4f993
Source of Spectrum T-68-2858-0
Synonyms 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-, iron complex 4-Methyl-1-(propan-2-yl)cyclohexane-1,2,3,4-tetraide tris(methanidylidyneoxidanium) iron Iron, tricarbonyl[(1,2,3,4-eta)-1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene]- Tricarbonyl-1-methyl-4-isopropyl-cyclohexa-1,3-dieneiron Tricarbonyl[(1,2,3,4-.eta.)-1-isopropyl-4-methyl-1,3-cyclohexadiene]iron
Wiley ID 40237