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Ethyl 4-methyl N-[(2,5-.eta.)-2,4-pentadienyl]nipecotate]tricarbonyliron complex
SpectraBase Compound ID Bj2PSV6wBdh
InChI InChI=1S/C14H23NO2.3CO.Fe/c1-4-17-14(16)13-8-6-10-15(11-13)9-5-7-12(2)3;3*1-2;/h5,7,13H,2,4,6,8-11H2,1,3H3;;;;/q;3*+1;
InChIKey KRDDNAHCKZBGTJ-UHFFFAOYSA-N
Mol Weight 377.22 g/mol
Molecular Formula C17H23FeNO5
Exact Mass 377.092559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CiSorvYPY
Name Ethyl 4-methyl N-[(2,5-.eta.)-2,4-pentadienyl]nipecotate]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23FeNO5
InChI InChI=1S/C14H23NO2.3CO.Fe/c1-4-17-14(16)13-8-6-10-15(11-13)9-5-7-12(2)3;3*1-2;/h5,7,13H,2,4,6,8-11H2,1,3H3;;;;/q;3*+1;
InChIKey KRDDNAHCKZBGTJ-UHFFFAOYSA-N
Molecular Weight 377.218 g/mol
SMILES [C@]12([Fe]3(C2)([C@@]1([C@]3(CN1CC(C(=O)OCC)CCC1)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-00dl-0192000000-2b7436cd0c3de284899c
Source of Spectrum QA-44-297-26
Wiley ID 862481