| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FDXX1UZwK3 |
|---|---|
| Name | 3,3-DIMETHYLBUTANONE |
| Copyright | Copyright © 2016-2024 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 | L.M.JACKMAN,D.P.KELLY |
| Literature Reference Citation | J.CHEM.SOC.(B),102(1970) |
| Literature Reference DOI | 10.1039/j29700000102 |
| Molecular Weight | 100.161 g/mol |
| Solvent | CS2 |
| Source File Reference | UNIW10070 |