| SpectraBase Compound ID | 9yqc9uodA4d |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-2-11(13)7-3-5-10-6-4-8-12(14)9-10/h9H,2-8H2,1H3 |
| InChIKey | ZKNLRWCTFOXYGX-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1N0Qwv5t9rr |
|---|---|
| Name | 3-(4-Ketohexyl)cyclohex-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-2-11(13)7-3-5-10-6-4-8-12(14)9-10/h9H,2-8H2,1H3 |
| InChIKey | ZKNLRWCTFOXYGX-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1=C(CCCC(=O)CC)CCCC1=O |