![[4-(Acetoxymethyl)cyclohexyl]methyl acetate](/api/spectrum/IRJDuNndgfV/structure.png?h=300&w=458 "[4-(Acetoxymethyl)cyclohexyl]methyl acetate")
| SpectraBase Compound ID | KHvlqf19V2m |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3 |
| InChIKey | NNCDHEJIRBOLSS-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IRJDuNndgfV |
|---|---|
| Name | [4-(Acetoxymethyl)cyclohexyl]methyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3 |
| InChIKey | NNCDHEJIRBOLSS-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(=O)(OCC1CCC(COC(=O)C)CC1)C |