| SpectraBase Compound ID | 7vpESieJx8F |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-2-3-7-12(14)10-9-11-6-4-5-8-13(11)15/h11H,2-10H2,1H3 |
| InChIKey | QPMKYESVLYTDFF-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMdFM1xWoJb |
|---|---|
| Name | 2-(3-Oxoheptyl)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-2-3-7-12(14)10-9-11-6-4-5-8-13(11)15/h11H,2-10H2,1H3 |
| InChIKey | QPMKYESVLYTDFF-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C1(=O)C(CCC(=O)CCCC)CCCC1 |