| SpectraBase Compound ID | JOBDELGQoNV |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey | UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnZ7kgqAiOh |
|---|---|
| Name | 3-Methylcyclohexanone |
| CAS Registry Number | 591-24-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey | UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| Literature Reference | J. Am. Chem. Soc. 92, 1347 (1970). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Dioxane |