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Eisen, bicyclo[2.2.1]hepta-2,5-dien-(dicarbonyl)(mono-13C-carbonyl)-
SpectraBase Compound ID H0RJxSE1EQX
InChI InChI=1S/C7H8.3CO.Fe/c1-2-7-4-3-6(1)5-7;3*1-2;/h1-4,6-7H,5H2;;;;/t6-,7+;;;;/i;1+1;;;
InChIKey RVZLCFFRWVHFMQ-SYDPBJKZSA-N
Mol Weight 228.98 g/mol
Molecular Formula C913CH4FeO3
Exact Mass 228.954335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1CeI1H4W0m
Name Eisen, bicyclo[2.2.1]hepta-2,5-dien-(dicarbonyl)(mono-13C-carbonyl)-
Comments Original formula: C9[13C]H8FeO3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8FeO3
InChI InChI=1S/C7H8.3CO.Fe/c1-2-7-4-3-6(1)5-7;3*1-2;/h1-4,6-7H,5H2;;;;/t6-,7+;;;;/i;1+1;;;
InChIKey RVZLCFFRWVHFMQ-SYDPBJKZSA-N
Molecular Weight 228.977 g/mol
SMILES [Fe].[O+]#[13C-].[O+]#[C-].[O+]#[C-].[C]1[C][C@]2([C][C][C@@]1(C2)[H])[H]
SPLASH splash10-0592-3910000000-76f539655c2557ee1647
Synonyms Iron, bicyclo[2.2.1]hepta-2,5-dien-(dicarbonyl)(mono-[¹³C]-carbonyl)-
Wiley ID 1490710