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(2S,4R,1'R,4'S)-Tricarbonyl[1'-4'-.eta.-(1'E,3'E)-1-p-methoxyphenyl-2-(1',3'-pentadienyl)piperidin-4-ol]iron
SpectraBase Compound ID LF9Mhl5lry1
InChI InChI=1S/C17H23NO2.3CO.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;/h3-10,15-16,19H,11-13H2,1-2H3;;;;/t15-,16-;;;;/m1..../s1
InChIKey ADYLSMADVSROGR-WOLYCILSSA-N
Mol Weight 413.25 g/mol
Molecular Formula C20H23FeNO5
Exact Mass 413.092559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXzHIpGczWj
Name (2S,4R,1'R,4'S)-Tricarbonyl[1'-4'-.eta.-(1'E,3'E)-1-p-methoxyphenyl-2-(1',3'-pentadienyl)piperidin-4-ol]iron
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Formula C20H23FeNO5
InChI InChI=1S/C17H23NO2.3CO.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;/h3-10,15-16,19H,11-13H2,1-2H3;;;;/t15-,16-;;;;/m1..../s1
InChIKey ADYLSMADVSROGR-WOLYCILSSA-N
Molecular Weight 413.251 g/mol
SMILES O[C@@]1(CCN([C@](C2[Fe]34(C2C4C3C)(C#[O])(C#[O])C#[O])(C1)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-004i-0069000000-71dc41191f03dd63ef33
Source of Spectrum E1-45-1909-9
Wiley ID 1554155