| SpectraBase Compound ID | Fjfr8iVy5tn |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-3-4-9-14-23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-15(18)2/h15-18H,3-14H2,1-2H3 |
| InChIKey | QGIGGZWIUSLYMU-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 | 2qQmGSA2zQw |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl 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/c1-3-4-9-14-23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-15(18)2/h15-18H,3-14H2,1-2H3 |
| InChIKey | QGIGGZWIUSLYMU-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | CCCCCOC(C1C(C(=O)OC2C(CCCC2)C)CCCC1)=O |