| SpectraBase Compound ID | 4lLrQeZ37EI |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-16(6-2,14(17)19-7-3)15(18)20-13-10-8-12(4)9-11-13/h12-13H,5-11H2,1-4H3 |
| InChIKey | GPTBJJCTGBRSPS-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITDLTaLky7K |
|---|---|
| Name | Diethylmalonic acid, ethyl 4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-16(6-2,14(17)19-7-3)15(18)20-13-10-8-12(4)9-11-13/h12-13H,5-11H2,1-4H3 |
| InChIKey | GPTBJJCTGBRSPS-UHFFFAOYSA-N |
| SMILES | C1C(CCC(C1)C)OC(C(CC)(C(OCC)=O)CC)=O |