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(6RS,1'SR,4'RS)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-p-chlorohenyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]

View entire compound with spectra: 1 MS (GC)

(6RS,1'SR,4'RS)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-p-chlorohenyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
SpectraBase Compound ID 2uYC4mlEtRS
InChI InChI=1S/C16H16ClNO.3CO.Fe/c1-2-3-4-5-15-12-16(19)10-11-18(15)14-8-6-13(17)7-9-14;3*1-2;/h2-11,15H,12H2,1H3;;;;/t15-;;;;/m1..../s1
InChIKey PVNBPQGRVIQEQK-FKOXPEIHSA-N
Mol Weight 413.64 g/mol
Molecular Formula C19H16ClFeNO4
Exact Mass 413.011722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bvQY8WhIzW
Name (6RS,1'SR,4'RS)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-p-chlorohenyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
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Formula C19H16ClFeNO4
InChI InChI=1S/C16H16ClNO.3CO.Fe/c1-2-3-4-5-15-12-16(19)10-11-18(15)14-8-6-13(17)7-9-14;3*1-2;/h2-11,15H,12H2,1H3;;;;/t15-;;;;/m1..../s1
InChIKey PVNBPQGRVIQEQK-FKOXPEIHSA-N
Molecular Weight 413.638 g/mol
SMILES C12[Fe]3(C2[C@]2(N(C=CC(C2)=O)c2ccc(cc2)Cl)[H])(C1C3C)(C#[O])(C#[O])C#[O]
SPLASH splash10-057i-0009000000-17fb806c0e968465938d
Source of Spectrum E1-43-562-3
Wiley ID 1553024