| SpectraBase Compound ID | KClms6SMC3Y |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
| InChIKey | PFCHFHIRKBAQGU-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 | LBAPoh7ywrz |
|---|---|
| Name | 3-Hexanone |
| CAS Registry Number | 589-38-8 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
| InChIKey | PFCHFHIRKBAQGU-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A. Fratiello, J. Chem. Soc. Perkin II 1205 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CHCl2F |