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(6RS,1'SR,4'RS)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-benzyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
SpectraBase Compound ID DZNV2kbZqek
InChI InChI=1S/C17H19NO.3CO.Fe/c1-2-3-5-10-16-13-17(19)11-12-18(16)14-15-8-6-4-7-9-15;3*1-2;/h2-12,16H,13-14H2,1H3;;;;/t16-;;;;/m1..../s1
InChIKey GIZWAOVASQYTLU-XIYRCBLHSA-N
Mol Weight 393.22 g/mol
Molecular Formula C20H19FeNO4
Exact Mass 393.066344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqaH1j9mUI3
Name (6RS,1'SR,4'RS)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-benzyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
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Formula C20H19FeNO4
InChI InChI=1S/C17H19NO.3CO.Fe/c1-2-3-5-10-16-13-17(19)11-12-18(16)14-15-8-6-4-7-9-15;3*1-2;/h2-12,16H,13-14H2,1H3;;;;/t16-;;;;/m1..../s1
InChIKey GIZWAOVASQYTLU-XIYRCBLHSA-N
Molecular Weight 393.220 g/mol
SMILES C12[Fe]3(C2[C@]2(N(C=CC(C2)=O)Cc2ccccc2)[H])(C1C3C)(C#[O])(C#[O])C#[O]
SPLASH splash10-0a4i-0009000000-a3fe0c979b62fd675e8e
Source of Spectrum E1-43-562-3
Wiley ID 1553027