| SpectraBase Compound ID | 4t2pgUFap6q |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-3-4-5-6-7-8-9-10-13-16-24-20(22)18-15-12-11-14-17(18)19(21)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | HOIFJWNIHQLTEH-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 | B0VMn011v6a |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, methyl undecyl 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/c1-3-4-5-6-7-8-9-10-13-16-24-20(22)18-15-12-11-14-17(18)19(21)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | HOIFJWNIHQLTEH-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCCC)=O)C(=O)OC |