| SpectraBase Compound ID | EyX1Ix1Hk6B |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-15(2)9-8-14-23-19(21)17-12-6-7-13-18(17)20(22)24-16-10-4-3-5-11-16/h15-18H,3-14H2,1-2H3 |
| InChIKey | JWSKCIXLDHKWKV-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 | 1hmg4mbG6Q8 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohexyl isohexyl 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/c1-15(2)9-8-14-23-19(21)17-12-6-7-13-18(17)20(22)24-16-10-4-3-5-11-16/h15-18H,3-14H2,1-2H3 |
| InChIKey | JWSKCIXLDHKWKV-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | CC(C)CCCOC(C1C(C(=O)OC2CCCCC2)CCCC1)=O |