| SpectraBase Compound ID | XR344vab9m |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h9-10,13H,4-8H2,1-3H3 |
| InChIKey | GDYJTECZNCIHEI-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7b8AcLrfMf0 |
|---|---|
| Name | Cyclohexanecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h9-10,13H,4-8H2,1-3H3 |
| InChIKey | GDYJTECZNCIHEI-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C(OC(C)(C)C)(C1CC(CO)CCC1)=O |