| SpectraBase Compound ID | IWKh6JZA1tr |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-14-19(2)23-21(22)18-17-20-15-12-13-16-20/h19-20H,3-18H2,1-2H3 |
| InChIKey | WKWRIGXORFXNQS-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtXw8JOG3HU |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-14-19(2)23-21(22)18-17-20-15-12-13-16-20/h19-20H,3-18H2,1-2H3 |
| InChIKey | WKWRIGXORFXNQS-UHFFFAOYSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C1CCC(C1)CCC(OC(CCCCCCCCCCC)C)=O |