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Tricarbonyl-[4-isopropylcyclohepta-4,6-diene-1,3-dione]iron
SpectraBase Compound ID nTL0OQGPbo
InChI InChI=1S/C10H12O2.3CO.Fe/c1-7(2)9-5-3-4-8(11)6-10(9)12;3*1-2;/h3-5,7H,6H2,1-2H3;;;;
InChIKey VVQJCNNAFMLSLB-UHFFFAOYSA-N
Mol Weight 304.079 g/mol
Molecular Formula C13H12FeO5
Exact Mass 304.003409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQR8miYaPl4
Name Tricarbonyl-[4-isopropylcyclohepta-4,6-diene-1,3-dione]iron
Alternate Name(s) Tricarbonyl-[5-isopropylcyclohepta-2,4-diene-1,6-dione]-iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12FeO5
InChI InChI=1S/C10H12O2.3CO.Fe/c1-7(2)9-5-3-4-8(11)6-10(9)12;3*1-2;/h3-5,7H,6H2,1-2H3;;;;
InChIKey VVQJCNNAFMLSLB-UHFFFAOYSA-N
Molecular Weight 304.079 g/mol
SMILES [Fe].C1(C(=CC=CC(C1)=O)C(C)C)=O.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-00dj-0190000000-d4fdcf55a3f2fd1784ba
Source of Spectrum AG-570-265-0
Wiley ID 1306052