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(2RS,5RS,6RS,2E,4Z)-Tricarbonyl-[.eta(4).-(2->5)-6-(benzyloxy)hepta-2,4-diene-1-nitrile]-iron
SpectraBase Compound ID 2MJk3eUNCUu
InChI InChI=1S/C14H15NO.3CO.Fe/c1-13(8-4-3-7-11-15)16-12-14-9-5-2-6-10-14;3*1-2;/h2-10,13H,12H2,1H3;;;;/t13-;;;;/m0..../s1
InChIKey TUXQQSVIDFATTN-AHJYMZSGSA-N
Mol Weight 353.16 g/mol
Molecular Formula C17H15FeNO4
Exact Mass 353.035044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5edy0sfKdDM
Name (2RS,5RS,6RS,2E,4Z)-Tricarbonyl-[.eta(4).-(2->5)-6-(benzyloxy)hepta-2,4-diene-1-nitrile]-iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15FeNO4
InChI InChI=1S/C14H15NO.3CO.Fe/c1-13(8-4-3-7-11-15)16-12-14-9-5-2-6-10-14;3*1-2;/h2-10,13H,12H2,1H3;;;;/t13-;;;;/m0..../s1
InChIKey TUXQQSVIDFATTN-AHJYMZSGSA-N
Molecular Weight 353.155 g/mol
SMILES [C@@]12([Fe]3([C@]2(C#N)[H])([C@]1([C@@]3([C@@](OCc1ccccc1)(C)[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-014i-0090000000-53cb84990ef868a6e779
Source of Spectrum C-121-9151-7C/9
Wiley ID 1700327