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(1S,2R)-(2E)-Tricarbonyl[2-5.eta.-1,N-dibenzyl-2,4-pentadienylamine]iron
SpectraBase Compound ID JQQZSPSiYGb
InChI InChI=1S/C19H21N.3CO.Fe/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18;3*1-2;/h2-14,19-20H,1,15-16H2;;;;/t19-;;;;/m1..../s1
InChIKey WBDRGFMKAZSQFV-MXFMKSRJSA-N
Mol Weight 403.26 g/mol
Molecular Formula C22H21FeNO3
Exact Mass 403.08708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEeRexgWL7J
Name (1S,2R)-(2E)-Tricarbonyl[2-5.eta.-1,N-dibenzyl-2,4-pentadienylamine]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FeNO3
InChI InChI=1S/C19H21N.3CO.Fe/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18;3*1-2;/h2-14,19-20H,1,15-16H2;;;;/t19-;;;;/m1..../s1
InChIKey WBDRGFMKAZSQFV-MXFMKSRJSA-N
Molecular Weight 403.259 g/mol
SMILES N([C@]([C@@]1([Fe]23(C1C3C2)(C#[O])(C#[O])C#[O])[H])(Cc1ccccc1)[H])Cc1ccccc1
SPLASH splash10-014i-0029000000-12eb268a0cef251f9ede
Source of Spectrum E1-44-953-2
Wiley ID 1553427