| SpectraBase Compound ID | AzU6WMwBCRh |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-8(13)16-11(2,3)9-5-6-12(4,15)10(14)7-9/h9-10,14-15H,5-7H2,1-4H3 |
| InChIKey | PQFICFQXOLQQMH-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCMCc0qvOh9 |
|---|---|
| Name | 2-(3,4-Dihydroxy-4-methylcyclohexyl)propan-2-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-8(13)16-11(2,3)9-5-6-12(4,15)10(14)7-9/h9-10,14-15H,5-7H2,1-4H3 |
| InChIKey | PQFICFQXOLQQMH-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(C1CC(O)C(CC1)(O)C)(OC(=O)C)(C)C |