| SpectraBase Compound ID | 6RUuNw4wLGH |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-16(4)15(2)3/h15-18H,5-14H2,1-4H3 |
| InChIKey | CZVBDGRFMYFANT-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 | Dv6wWeHUPQn |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylbut-2-yl 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/c1-5-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-16(4)15(2)3/h15-18H,5-14H2,1-4H3 |
| InChIKey | CZVBDGRFMYFANT-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |