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Tricarbonyl[(1-4-.eta.)-5-(6-mino-5-methylcyclohexa-1,4-dien-3-onyl)cyclohexa-1,3-diene]iron
SpectraBase Compound ID 7TlnhfQQrvR
InChI InChI=1S/C13H13NO.3CO.Fe/c1-9-7-11(15)8-12(13(9)14)10-5-3-2-4-6-10;3*1-2;/h2-5,7-8,10,14H,6H2,1H3;;;;/t10-;;;;/m1..../s1
InChIKey GTCLXVVJZXKVJS-USOZLSCGSA-N
Mol Weight 339.13 g/mol
Molecular Formula C16H13FeNO4
Exact Mass 339.019394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FysPunL7TbG
Name Tricarbonyl[(1-4-.eta.)-5-(6-mino-5-methylcyclohexa-1,4-dien-3-onyl)cyclohexa-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13FeNO4
InChI InChI=1S/C13H13NO.3CO.Fe/c1-9-7-11(15)8-12(13(9)14)10-5-3-2-4-6-10;3*1-2;/h2-5,7-8,10,14H,6H2,1H3;;;;/t10-;;;;/m1..../s1
InChIKey GTCLXVVJZXKVJS-USOZLSCGSA-N
Molecular Weight 339.128 g/mol
SMILES N=C1C([C@@]2(C3[Fe]45(C3C5C4C2)(C#[O])(C#[O])C#[O])[H])=CC(C=C1C)=O
SPLASH splash10-0zn9-0490000000-a7fa49040ed49e9071be
Source of Spectrum SO-0-402-4
Wiley ID 1545565