| SpectraBase Compound ID | 8bITnYddALt |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-11(2)10-19-14(17)16(4,5)15(18)20-13-8-6-12(3)7-9-13/h11-13H,6-10H2,1-5H3 |
| InChIKey | DUAMWUBVOSLGCE-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 | DB7YjXm4QZj |
|---|---|
| Name | Dimethylmalonic acid, isobutyl trans-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/c1-11(2)10-19-14(17)16(4,5)15(18)20-13-8-6-12(3)7-9-13/h11-13H,6-10H2,1-5H3 |
| InChIKey | DUAMWUBVOSLGCE-UHFFFAOYSA-N |
| SMILES | C1C(CCC(C1)OC(C(C(OCC(C)C)=O)(C)C)=O)C |