![2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-](/api/spectrum/HxBVfYCiUpX/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-")
| SpectraBase Compound ID | Do1m1R39odZ |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3 |
| InChIKey | UICMPCKQBBYKCA-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 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 | HxBVfYCiUpX |
|---|---|
| Name | 2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3 |
| InChIKey | UICMPCKQBBYKCA-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1(C=C(C)CCC1C(CCOC(=O)C)C)=O |