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Tricarbonyl[(1-4-.eta.)-5-(2-amino-4,5-dimethoxyphenyl)cyclohexa-1,3-diene]iron
SpectraBase Compound ID 2pP4bxevbt7
InChI InChI=1S/C14H17NO2.3CO.Fe/c1-16-13-8-11(10-6-4-3-5-7-10)12(15)9-14(13)17-2;3*1-2;/h3-6,8-10H,7,15H2,1-2H3;;;;/t10-;;;;/m1..../s1
InChIKey IVQGRCWGMPXGNE-USOZLSCGSA-N
Mol Weight 371.17 g/mol
Molecular Formula C17H17FeNO5
Exact Mass 371.045609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OfgiXzByOI
Name Tricarbonyl[(1-4-.eta.)-5-(2-amino-4,5-dimethoxyphenyl)cyclohexa-1,3-diene]iron
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Formula C17H17FeNO5
InChI InChI=1S/C14H17NO2.3CO.Fe/c1-16-13-8-11(10-6-4-3-5-7-10)12(15)9-14(13)17-2;3*1-2;/h3-6,8-10H,7,15H2,1-2H3;;;;/t10-;;;;/m1..../s1
InChIKey IVQGRCWGMPXGNE-USOZLSCGSA-N
Molecular Weight 371.170 g/mol
SMILES Nc1c([C@@]2(C3[Fe]45(C3C5C4C2)(C#[O])(C#[O])C#[O])[H])cc(c(OC)c1)OC
SPLASH splash10-000i-0192000000-9e36bdc04d139dfc11ee
Source of Spectrum SO-0-404-3
Wiley ID 1545554