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Eisen, bicyclo[2.2.1]hepta-2,5-dien-(tri-13C-carbonyl)-
SpectraBase Compound ID 1fO67y5KqBW
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;3*1+1;
InChIKey RVZLCFFRWVHFMQ-WWCNTSPNSA-N
Mol Weight 230.96 g/mol
Molecular Formula C713C3H4FeO3
Exact Mass 230.961044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqNGcyLOc4p
Name Eisen, bicyclo[2.2.1]hepta-2,5-dien-(tri-13C-carbonyl)-
Alternate Name(s) Iron, bicyclo[2.2.1]hepta-2,5-dien-(tri-[¹³C]-carbonyl)-
Comments Original formula: C7[13C]3H8FeO3
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;3*1+1;
InChIKey RVZLCFFRWVHFMQ-WWCNTSPNSA-N
Molecular Weight 230.961 g/mol
SMILES [Fe].[O+]#[13C-].[O+]#[13C-].[O+]#[13C-].[C]1[C][C@]2([C][C][C@@]1(C2)[H])[H]
SPLASH splash10-0592-5910000000-123f075ec89adb432dca
Wiley ID 1490293