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Tricarbonyl-[ 1,6-dimethylcyclohepta-2,4-diene-1,6-diol]-iron
SpectraBase Compound ID 7tqnR7l6wh6
InChI InChI=1S/C9H14O2.3CO.Fe/c1-8(10)5-3-4-6-9(2,11)7-8;3*1-2;/h3-6,10-11H,7H2,1-2H3;;;;
InChIKey SRJIJEGLBBHIPB-UHFFFAOYSA-N
Mol Weight 294.08 g/mol
Molecular Formula C12H14FeO5
Exact Mass 294.01906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MsA2X1HyiW
Name Tricarbonyl-[ 1,6-dimethylcyclohepta-2,4-diene-1,6-diol]-iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14FeO5
InChI InChI=1S/C9H14O2.3CO.Fe/c1-8(10)5-3-4-6-9(2,11)7-8;3*1-2;/h3-6,10-11H,7H2,1-2H3;;;;
InChIKey SRJIJEGLBBHIPB-UHFFFAOYSA-N
Molecular Weight 294.084 g/mol
SMILES OC1([C@]2([C@@]3([Fe]22([C@](C(C1)(O)C)([C@]32[H])[H])(C#[O])(C#[O])C#[O])[H])[H])C
SPLASH splash10-000f-0980000000-912f9ab89d0dd7fda9cb
Source of Spectrum AG-570-265-0
Wiley ID 1296753