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Ethyl 4-methyl N-[(2,5-.eta.)-2,4-pentadienyl]prolinate]tricarbonyliron complex
SpectraBase Compound ID CNl4AXrR0N2
InChI InChI=1S/C13H21NO2.3CO.Fe/c1-4-16-13(15)12-8-6-10-14(12)9-5-7-11(2)3;3*1-2;/h5,7,12H,2,4,6,8-10H2,1,3H3;;;;/q;3*+1;
InChIKey BDUJOXFRURSLCP-UHFFFAOYSA-N
Mol Weight 363.19 g/mol
Molecular Formula C16H21FeNO5
Exact Mass 363.076909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RLue9xXr4u
Name Ethyl 4-methyl N-[(2,5-.eta.)-2,4-pentadienyl]prolinate]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21FeNO5
InChI InChI=1S/C13H21NO2.3CO.Fe/c1-4-16-13(15)12-8-6-10-14(12)9-5-7-11(2)3;3*1-2;/h5,7,12H,2,4,6,8-10H2,1,3H3;;;;/q;3*+1;
InChIKey BDUJOXFRURSLCP-UHFFFAOYSA-N
Molecular Weight 363.191 g/mol
SMILES [C@]12([Fe]3(C2)([C@@]1([C@]3(CN1C(C(=O)OCC)CCC1)[H])[H])(C#[O+])(C#[O+])C#[O+])C
SPLASH splash10-00c1-0951000000-457f2e215173989eb743
Source of Spectrum QA-44-296-26
Wiley ID 862482