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Tricarbonyl[(1-4-.eta.)-5-(6-imino-5-methoxycyclohexa-1,4-dien-3-onyl)-1,3-cyclohexadiene]iron
SpectraBase Compound ID 3T3pvSlP3Wu
InChI InChI=1S/C13H13NO2.3CO.Fe/c1-16-12-8-10(15)7-11(13(12)14)9-5-3-2-4-6-9;3*1-2;/h2-5,7-9,14H,6H2,1H3;;;;
InChIKey LTGJPXPGRGJFDM-UHFFFAOYSA-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 CCiuV9lCb5u
Name Tricarbonyl[(1-4-.eta.)-5-(6-imino-5-methoxycyclohexa-1,4-dien-3-onyl)-1,3-cyclohexadiene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13FeNO5
InChI InChI=1S/C13H13NO2.3CO.Fe/c1-16-12-8-10(15)7-11(13(12)14)9-5-3-2-4-6-9;3*1-2;/h2-5,7-9,14H,6H2,1H3;;;;
InChIKey LTGJPXPGRGJFDM-UHFFFAOYSA-N
Molecular Weight 355.127 g/mol
SMILES N=C1C(C2[C@@]3([Fe]45([C@@]3([C@]5([C@]4(C2)[H])[H])[H])(C#[O])(C#[O])C#[O])[H])=CC(C=C1OC)=O
SPLASH splash10-01b9-0091000000-37d4fdb8277826dd7d4a
Source of Spectrum F-49-11233-11
Wiley ID 789044