| SpectraBase Compound ID | 8dp4x4E8KlG |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-2-3-4-5-6-11-16-23-19(21)14-9-10-15-20(22)24-17-18-12-7-8-13-18/h18H,2-17H2,1H3 |
| InChIKey | CDHKMJJSONPAPW-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 | GdTZJAV4xFz |
|---|---|
| Name | Adipic acid, cyclopentylmethyl octyl 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/c1-2-3-4-5-6-11-16-23-19(21)14-9-10-15-20(22)24-17-18-12-7-8-13-18/h18H,2-17H2,1H3 |
| InChIKey | CDHKMJJSONPAPW-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C1CC(COC(=O)CCCCC(OCCCCCCCC)=O)CC1 |