| SpectraBase Compound ID | 6eJ4lhQCW9e |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10-11,14H,6-7H2,1-4H3 |
| InChIKey | ISKWEZUCHJMRLH-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 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 | 6tg5q6szJDM |
|---|---|
| Name | Sobrerol 8-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10-11,14H,6-7H2,1-4H3 |
| InChIKey | ISKWEZUCHJMRLH-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C1(CC=C(C(C1)O)C)C(C)(C)OC(C)=O |