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Tricarbonyl-[6-(methoxycarbonyl)cyclohepta-2,4,6-trien-1-one]-iron
SpectraBase Compound ID 4kuD41IbyMa
InChI InChI=1S/C9H8O3.3CO.Fe/c1-12-9(11)7-4-2-3-5-8(10)6-7;3*1-2;/h2-6H,1H3;;;;
InChIKey PPXAQLAIUXPUAT-UHFFFAOYSA-N
Mol Weight 304.035 g/mol
Molecular Formula C12H8FeO6
Exact Mass 303.967024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxVM0HFQcDI
Name Tricarbonyl-[6-(methoxycarbonyl)cyclohepta-2,4,6-trien-1-one]-iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8FeO6
InChI InChI=1S/C9H8O3.3CO.Fe/c1-12-9(11)7-4-2-3-5-8(10)6-7;3*1-2;/h2-6H,1H3;;;;
InChIKey PPXAQLAIUXPUAT-UHFFFAOYSA-N
Molecular Weight 304.035 g/mol
SMILES [Fe].C1(=CC(C=CC=C1)=O)C(=O)OC.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-00fs-0390000000-9ba052850c64428ed01a
Source of Spectrum AG-570-265-0
Wiley ID 1305999