| SpectraBase Compound ID | 5O5xAqSVbuE |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h10-11H,3-7H2,1-2H3 |
| InChIKey | CGTICNQOFNRQCY-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SFerNOtUvp |
|---|---|
| Name | 4-(Hydroxymethyl)cyclohexan-1-ol, acetate (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h10-11H,3-7H2,1-2H3 |
| InChIKey | CGTICNQOFNRQCY-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C1(CCC(CC1)COC(C)=O)OC(C)=O |