| SpectraBase Compound ID | Ex9vXaFOzX9 |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h8-9H,2-6H2,1H3,(H,12,13) |
| InChIKey | WHDZQFXOJAWKLK-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtAeYEPwPNT |
|---|---|
| Name | Trans-4-(hydroxymethyl)cyclohexanecarboxylic acid, o-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h8-9H,2-6H2,1H3,(H,12,13) |
| InChIKey | WHDZQFXOJAWKLK-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C1(CCC(CC1)COC(=O)C)C(=O)O |