Difference between revisions of "Hannah"

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[[File:molecule (2).png|200px]]
 
[[File:molecule (2).png|200px]]
  
:But PubChem's 3D structure has both oxygens pointing in the same direction
+
:PubChem's 3D structure has both oxygens pointing in the same direction (left) while NIST has the oxygens pointing in different directions (right)
  
:[[File:Acetylacetone_400×300_3D_Conformer.png|200px]]
+
:[[File:Acetylacetone_400×300_3D_Conformer.png|200px]] [[File:ketoacetylacetoneStructure.png|200px]]
 
 
:But NIST has the oxygens pointing different directions
 
 
 
:[[File:ketoacetylacetoneStructure.png|200px]]
 
  
 
Proton NMR (Hartree-Fock)
 
Proton NMR (Hartree-Fock)

Revision as of 19:17, 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

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)

A reminder of Proton NMR stretches: File:nmr1.gif

NmrKeto.png

Enol Acetylacetone

Molecule.png

Proton NMR (Hartree-Fock)

A reminder of Proton NMR stretches: File:nmr1.gif

NmrEnol.png