Difference between revisions of "Hannah"
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But NIST has the oxygens pointing different directions | But NIST has the oxygens pointing different directions | ||
− | [[File:ketoacetylacetoneStructure.png| | + | [[File:ketoacetylacetoneStructure.png|200px]] |
Proton NMR (Hartree-Fock) | Proton NMR (Hartree-Fock) |
Revision as of 18:19, 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
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)