Difference between revisions of "Hannah"
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[[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) |
− | :[[File:Acetylacetone_400×300_3D_Conformer.png|200px]] | + | :[[File:Acetylacetone_400×300_3D_Conformer.png|200px]] [[File:ketoacetylacetoneStructure.png|200px]] |
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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
- PubChem's 3D structure has both oxygens pointing in the same direction (left) while NIST has the oxygens pointing in different directions (right)
Proton NMR (Hartree-Fock)
- A reminder of Proton NMR stretches: File:nmr1.gif
Enol Acetylacetone
Proton NMR (Hartree-Fock)
- A reminder of Proton NMR stretches: File:nmr1.gif