| SpectraBase Compound ID | EeADU4FKcsg |
|---|---|
| InChI | InChI=1S/C12H22O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h11H,2-10H2,1H3 |
| InChIKey | DHTQBSDQBYPRKC-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K92H4Q37GAK |
|---|---|
| Name | 1-Cyclohexylhexan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h11H,2-10H2,1H3 |
| InChIKey | DHTQBSDQBYPRKC-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(CC(CCC)=O)C1CCCCC1 |