| SpectraBase Compound ID | 4QxeIEOxex4 |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-3-4-5-6-7-8-11-14-24-19(21)17-12-9-10-13-18(17)20(22)25-16-15-23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | HPFXUVGIVFPCID-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Wh4GkqaCj1 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-methoxyethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.256274254 u |
| Formula | C20H36O5 |
| InChI | InChI=1S/C20H36O5/c1-3-4-5-6-7-8-11-14-24-19(21)17-12-9-10-13-18(17)20(22)25-16-15-23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | HPFXUVGIVFPCID-UHFFFAOYSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | CCCCCCCCCOC(C1C(C(=O)OCCOC)CCCC1)=O |