Difference between revisions of "Hannah"
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[[File:molecule (2).png|300px]] | [[File:molecule (2).png|300px]] | ||
| − | PubChem's 3D structure has both oxygens pointing in the same direction | + | But PubChem's 3D structure has both oxygens pointing in the same direction |
[[File:Acetylacetone_400×300_3D_Conformer.png|300px]] | [[File:Acetylacetone_400×300_3D_Conformer.png|300px]] | ||
| + | |||
| + | But NIST has the oxygens pointing different directions | ||
| + | |||
| + | [[File:ketoacetylacetoneStructure.png|300px]] | ||
Proton NMR (Hartree-Fock) | Proton NMR (Hartree-Fock) | ||
Revision as of 18:16, 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
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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
Proton NMR (Hartree-Fock)
Enol Acetylacetone
Proton NMR (Hartree-Fock)
