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Tricarbonyl[(1-4-.eta.)-5-(6-imino-4-methoxycyclohexa-1,4-dien-3-onyl)cyclohexa-1,3-diene]iron
SpectraBase Compound ID 5U6Y61xnrLk
InChI InChI=1S/C13H13NO2.3CO.Fe/c1-16-13-8-11(14)10(7-12(13)15)9-5-3-2-4-6-9;3*1-2;/h2-5,7-9,14H,6H2,1H3;;;;/t9-;;;;/m1..../s1
InChIKey PFSSMLHUHTWBHI-RASHCQHBSA-N
Mol Weight 355.13 g/mol
Molecular Formula C16H13FeNO5
Exact Mass 355.014309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKXduvuSnGt
Name Tricarbonyl[(1-4-.eta.)-5-(6-imino-4-methoxycyclohexa-1,4-dien-3-onyl)cyclohexa-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13FeNO5
InChI InChI=1S/C13H13NO2.3CO.Fe/c1-16-13-8-11(14)10(7-12(13)15)9-5-3-2-4-6-9;3*1-2;/h2-5,7-9,14H,6H2,1H3;;;;/t9-;;;;/m1..../s1
InChIKey PFSSMLHUHTWBHI-RASHCQHBSA-N
Molecular Weight 355.127 g/mol
SMILES N=C1C([C@@]2(C3[Fe]45(C3C5C4C2)(C#[O])(C#[O])C#[O])[H])=CC(=O)C(=C1)OC
SPLASH splash10-01di-0290000000-0e5a5ad81a0c8890d357
Source of Spectrum SO-0-404-4
Wiley ID 1545553