Difference between revisions of "Hannah"

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Proton NMR (Hartree-Fock)
 
Proton NMR (Hartree-Fock)
  
[[File:nmrKeto.png|200px]]
+
[[File:nmrKeto.png|300px]]
  
 
==Enol Acetylacetone==
 
==Enol Acetylacetone==
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A reminder of Proton NMR stretches:  
 
A reminder of Proton NMR stretches:  
  
[[File:nmr1.gif|300px]]
+
[[File:nmr1.gif|500px]]

Revision as of 18:29, 15 April 2021

Tautomers of Acetylacetone (C5H8O2)

Usually the keto tautomer is favored

Keto = ketone

Enol = alcohol

may also be referred to as an alkenol

Keto Acetylacetone

With geometry optimization

Molecule (2).png

But PubChem's 3D structure has both oxygens pointing in the same direction

Error creating thumbnail: File missing

But NIST has the oxygens pointing different directions

KetoacetylacetoneStructure.png

Proton NMR (Hartree-Fock)

NmrKeto.png

Enol Acetylacetone

Molecule.png

Proton NMR (Hartree-Fock)

NmrEnol.png

A reminder of Proton NMR stretches:

Nmr1.gif