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Eisen, bicyclo[2.2.1]hepta-2,5-dien-(monocarbonyl)(di-13C-carbonyl)-
SpectraBase Compound ID 4pleKC7vIKE
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;2*1+1;;
InChIKey RVZLCFFRWVHFMQ-GZLSBRDTSA-N
Mol Weight 229.97 g/mol
Molecular Formula C813C2H4FeO3
Exact Mass 229.95769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2q2iLTGLfGg
Name Eisen, bicyclo[2.2.1]hepta-2,5-dien-(monocarbonyl)(di-13C-carbonyl)-
Comments Original formula: C8[13C]2H8FeO3
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;2*1+1;;
InChIKey RVZLCFFRWVHFMQ-GZLSBRDTSA-N
Molecular Weight 229.969 g/mol
SMILES [Fe].[O+]#[13C-].[O+]#[C-].[O+]#[13C-].[C]1[C][C@]2([C][C][C@@]1(C2)[H])[H]
SPLASH splash10-0592-4910000000-ab55857e8b6dcb6d8e92
Synonyms Iron, bicyclo[2.2.1]hepta-2,5-dien-(monocarbonyl)(di-[¹³C]-carbonyl)-
Wiley ID 1490294