| SpectraBase Compound ID | GDETrv6cCNN |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-9-10-15-23-18(21)20(3,4)19(22)24-17-13-11-16(2)12-14-17/h16-17H,5-15H2,1-4H3 |
| InChIKey | HRWBCZRBMZBBHC-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bw4vYkHn4CB |
|---|---|
| Name | Dimethylmalonic acid, cis-4-methylcyclohexyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-9-10-15-23-18(21)20(3,4)19(22)24-17-13-11-16(2)12-14-17/h16-17H,5-15H2,1-4H3 |
| InChIKey | HRWBCZRBMZBBHC-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C1C(CCC(C1)OC(C(C(OCCCCCCCC)=O)(C)C)=O)C |