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[(1-4.eta.)-5-(2,4-Diaminophenyl)cyclohexa-1,3-diene]tricarbonyliron
SpectraBase Compound ID Kycr6TuXOfP
InChI InChI=1S/C12H14N2.3CO.Fe/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;3*1-2;/h1-4,6-9H,5,13-14H2;;;;/t9-;;;;/m0..../s1
InChIKey KMIRJFQMNNPQCU-ZWACTXNCSA-N
Mol Weight 326.13 g/mol
Molecular Formula C15H14FeN2O3
Exact Mass 326.035378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1i9mRRm7Yi
Name [(1-4.eta.)-5-(2,4-Diaminophenyl)cyclohexa-1,3-diene]tricarbonyliron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14FeN2O3
InChI InChI=1S/C12H14N2.3CO.Fe/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;3*1-2;/h1-4,6-9H,5,13-14H2;;;;/t9-;;;;/m0..../s1
InChIKey KMIRJFQMNNPQCU-ZWACTXNCSA-N
Molecular Weight 326.133 g/mol
SMILES Nc1ccc(c(c1)N)[C@]1(C2[Fe]34(C2C4C3C1)(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-01ox-0970000000-4fc63f5ece2a38b90362
Source of Spectrum F-56-4736-8
Wiley ID 856705