Difference between revisions of "Hannah"
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| Line 11: | Line 11: | ||
[[File:molecule (2).png|200px]] | [[File:molecule (2).png|200px]] | ||
| − | But 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|200px]] | + | :[[File:Acetylacetone_400×300_3D_Conformer.png|200px]] |
| − | But NIST has the oxygens pointing different directions | + | :But NIST has the oxygens pointing different directions |
| − | [[File:ketoacetylacetoneStructure.png|200px]] | + | :[[File:ketoacetylacetoneStructure.png|200px]] |
Proton NMR (Hartree-Fock) | Proton NMR (Hartree-Fock) | ||
| + | :A reminder of Proton NMR stretches: [[:File:nmr1.gif]] | ||
[[File:nmrKeto.png|300px]] | [[File:nmrKeto.png|300px]] | ||
| Line 28: | Line 29: | ||
Proton NMR (Hartree-Fock) | Proton NMR (Hartree-Fock) | ||
| + | :A reminder of Proton NMR stretches: [[:File:nmr1.gif]] | ||
[[File:nmrEnol.png|300px]] | [[File:nmrEnol.png|300px]] | ||
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Revision as of 19:12, 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
.png)
- 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)
- A reminder of Proton NMR stretches: File:nmr1.gif
Enol Acetylacetone
Proton NMR (Hartree-Fock)
- A reminder of Proton NMR stretches: File:nmr1.gif
