Difference between revisions of "Hannah"

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Enol = alcohol
 
Enol = alcohol
 
:may also be referred to as an alkenol
 
:may also be referred to as an alkenol
 +
 +
The basic reaction [[File:tautomerism.png|200px]]
 +
 
==Keto Acetylacetone==
 
==Keto Acetylacetone==
With geometry optimization
+
With geometry optimization [[File:molecule (2).png|200px]]
 
 
[[File:molecule (2).png|200px]]
 
  
 
:PubChem's 3D structure has both oxygens pointing in the same direction (left) while NIST has the oxygens pointing in different directions (right)
 
:PubChem's 3D structure has both oxygens pointing in the same direction (left) while NIST has the oxygens pointing in different directions (right)

Revision as of 20:08, 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

The basic reaction Tautomerism.png

Keto Acetylacetone

With geometry optimization Molecule (2).png

PubChem's 3D structure has both oxygens pointing in the same direction (left) while NIST has the oxygens pointing in different directions (right)
Error creating thumbnail: File missing
KetoacetylacetoneStructure.png

Proton NMR (Hartree-Fock) NmrKetoZoomed.png

Enol Acetylacetone

Molecule.png

Proton NMR (Hartree-Fock) NmrEnol2.png