| SpectraBase Compound ID | DFOtij7Tr3q |
|---|---|
| InChI | InChI=1S/C11H18O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-4,10H,2,5-9H2,1H3 |
| InChIKey | JEVYHGQAPYKSPS-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsBnK7ir3yW |
|---|---|
| Name | 1-(3'-Cyclohexenyl)-2-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-4,10H,2,5-9H2,1H3 |
| InChIKey | JEVYHGQAPYKSPS-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C(C(CCC)=O)C1CC=CCC1 |