| SpectraBase Compound ID | IhgjauoAN4x |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h7-8,10H,2-6H2,1H3 |
| InChIKey | JNCPTEDQFZOIHX-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDr4R44mEgf |
|---|---|
| Name | Methyl 3-(hydroxymethyl)cyclohexanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h7-8,10H,2-6H2,1H3 |
| InChIKey | JNCPTEDQFZOIHX-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C1(CC(CCC1)CO)C(=O)OC |