| SpectraBase Compound ID | IqlmSRygGTM |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-4-5-10-23-19(21)17-8-6-7-9-18(17)20(22)24-16-12-14(2)11-15(3)13-16/h14-18H,4-13H2,1-3H3 |
| InChIKey | JNPPGIMVNNVHHV-UHFFFAOYSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfiAunYyBR3 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl 3,5-dimethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-4-5-10-23-19(21)17-8-6-7-9-18(17)20(22)24-16-12-14(2)11-15(3)13-16/h14-18H,4-13H2,1-3H3 |
| InChIKey | JNPPGIMVNNVHHV-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | CC1CC(C)CC(C1)OC(C1CCCCC1C(OCCCC)=O)=O |