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(2R*,3R*,6S*)-[(3,6-.eta.)-2-Hydroxy-1-phenyl-trans-3,trans-5-heptadiene]tricarbonyliron complex
SpectraBase Compound ID 7UiY6S6xtlk
InChI InChI=1S/C13H16O.3CO.Fe/c1-2-3-5-10-13(14)11-12-8-6-4-7-9-12;3*1-2;/h2-10,13-14H,11H2,1H3;;;;/t13-;;;;/m0..../s1
InChIKey MGGVHGDERMFXMK-AHJYMZSGSA-N
Mol Weight 328.15 g/mol
Molecular Formula C16H16FeO4
Exact Mass 328.039795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8Fs77X52h7
Name (2R*,3R*,6S*)-[(3,6-.eta.)-2-Hydroxy-1-phenyl-trans-3,trans-5-heptadiene]tricarbonyliron complex
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16FeO4
InChI InChI=1S/C13H16O.3CO.Fe/c1-2-3-5-10-13(14)11-12-8-6-4-7-9-12;3*1-2;/h2-10,13-14H,11H2,1H3;;;;/t13-;;;;/m0..../s1
InChIKey MGGVHGDERMFXMK-AHJYMZSGSA-N
Molecular Weight 328.145 g/mol
SMILES O[C@@](C1[Fe]23(C1C3C2C)(C#[O])(C#[O])C#[O])(Cc1ccccc1)[H]
SPLASH splash10-00kf-3490000000-a0c79e1bb563d0603f1f
Source of Spectrum QA-41-136-5
Wiley ID 861845