| SpectraBase Compound ID | CSim3R6VmMi |
|---|---|
| InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
| InChIKey | CGZZMOTZOONQIA-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 | 5WOuzzOf6hf |
|---|---|
| Name | Cycloheptanone |
| CAS Registry Number | 502-42-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
| InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
| Literature Reference | P. Beak, K.R. Rogers, J. Am. Chem. Soc. 102, 3848 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |