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(6S,1'R,4'S)-Tricarbonyl[1',4'-.eta.-(1'E,3'E)-2,3-didehydro-1-(p-methoxyphenyl)-6-(1',3'-pentadienyl)piperidin-4-one]iron

View entire compound with spectra: 2 MS (GC)

(6S,1'R,4'S)-Tricarbonyl[1',4'-.eta.-(1'E,3'E)-2,3-didehydro-1-(p-methoxyphenyl)-6-(1',3'-pentadienyl)piperidin-4-one]iron
SpectraBase Compound ID 4Ad2eDkj8Ee
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-;;;;/m1..../s1
InChIKey RHXMKZIRAUTMDE-FKOXPEIHSA-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 FXUpHcaQiQ9
Name (6S,1'R,4'S)-Tricarbonyl[1',4'-.eta.-(1'E,3'E)-2,3-didehydro-1-(p-methoxyphenyl)-6-(1',3'-pentadienyl)piperidin-4-one]iron
Alternate Name(s) (6RS,1'SR,4'RS)-(1'E,3'E)-Tricarbonyliron[2,3-didehydro-1-p-methoxyphenyl-6-(.eta.4-1',4')-1',3'-pentadienylpiperdin-4-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-;;;;/m1..../s1
InChIKey RHXMKZIRAUTMDE-FKOXPEIHSA-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 splash10-004i-0009000000-15582a4671aac6b9d1f1
Source of Spectrum E1-43-562-3
Wiley ID 1553029