![Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl-](/api/spectrum/DcFCe3OFpwr/structure.png?h=300&w=458 "Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl-")
| SpectraBase Compound ID | K6OFy2VGLpP |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | BFBQXRPYXKVBNE-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcFCe3OFpwr |
|---|---|
| Name | Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | BFBQXRPYXKVBNE-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C1(C(CCC(C1)C)C(CCOC(=O)C)C)=O |