| 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 | ItCMKnnolAz |
|---|---|
| Name | 3,3-Dimethyl-butanone-2 |
| CAS Registry Number | 75-97-8 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | P.L. Robinson, C.N. Barry, J.W.Kelly, J. Am. Chem. Soc. 107, 5211 (1985). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |