| SpectraBase Compound ID | 8Jx2QXFF2HG |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-4-16-11(14)12(2)7-5-6-9(8-12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12-/m0/s1 |
| InChIKey | JQXANCIONDWQMV-CABZTGNLSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tiojB4wjHL |
|---|---|
| Name | 1-Ethyl-3-methyl 1-methylcyclohexane-trans-1,3-dicarboxylate |
| 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/c1-4-16-11(14)12(2)7-5-6-9(8-12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12-/m0/s1 |
| InChIKey | JQXANCIONDWQMV-CABZTGNLSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | [C@]1(C(=O)OCC)(C[C@@](C(=O)OC)(CCC1)[H])C |