| SpectraBase Compound ID | IP6gOPEIaye |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3 |
| InChIKey | WDTGTPBLLDQGHP-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 | JL6PfHTozDL |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl pentyl 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/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3 |
| InChIKey | WDTGTPBLLDQGHP-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C1(CCCCC1)COC(C1CCCCC1C(OCCCCC)=O)=O |