| SpectraBase Compound ID | KrlmDP4gYvI |
|---|---|
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BlJeZouuiG |
|---|---|
| Name | 3,3-DIMETHYL-2-BUTANONE;PINACOLONE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| Literature Reference Author | D.W.BOYKIN,P.BALAKRISHNAN,A.L.BAUMSTARK |
| Literature Reference Citation | MAGN.RES.CHEM.,25,248(1987) |
| Literature Reference DOI | 10.1002/mrc.1260250314 |
| Solvent | CH3CN |
| Source File Reference | UHPK226 |