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

View entire compound with spectra: 1 MS (GC)

(6RS,1'RS,4'SR)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-p-methoxyphenyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
SpectraBase Compound ID IODzVXzLPdR
InChI InChI=1S/C17H19NO2.3CO.Fe/c1-3-4-5-6-15-13-16(19)11-12-18(15)14-7-9-17(20-2)10-8-14;3*1-2;/h3-12,15H,13H2,1-2H3;;;;/t15-;;;;/m0..../s1
InChIKey RHXMKZIRAUTMDE-FWELSTJRSA-N
Mol Weight 409.22 g/mol
Molecular Formula C20H19FeNO5
Exact Mass 409.061259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9nTvHsWxzN
Name (6RS,1'RS,4'SR)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-p-methoxyphenyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
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Formula C20H19FeNO5
InChI InChI=1S/C17H19NO2.3CO.Fe/c1-3-4-5-6-15-13-16(19)11-12-18(15)14-7-9-17(20-2)10-8-14;3*1-2;/h3-12,15H,13H2,1-2H3;;;;/t15-;;;;/m0..../s1
InChIKey RHXMKZIRAUTMDE-FWELSTJRSA-N
Molecular Weight 409.219 g/mol
SMILES C12[Fe]3(C2[C@@]2(N(C=CC(C2)=O)c2ccc(cc2)OC)[H])(C1C3C)(C#[O])(C#[O])C#[O]
SPLASH splash10-0fb9-0019000000-ce1598d09a4b2160c364
Source of Spectrum E1-43-562-4
Wiley ID 1553028