| SpectraBase Compound ID | Ka5iaj7sQhk |
|---|---|
| InChI | InChI=1S/C14H25ClO2/c15-11-5-1-2-6-12-17-14(16)10-9-13-7-3-4-8-13/h13H,1-12H2 |
| InChIKey | KJFXSTZAPPGJAU-UHFFFAOYSA-N |
| Mol Weight | 260.8 g/mol |
| Molecular Formula | C14H25ClO2 |
| Exact Mass | 260.154308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xCs7NAfDte |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.154307743 u |
| Formula | C14H25ClO2 |
| InChI | InChI=1S/C14H25ClO2/c15-11-5-1-2-6-12-17-14(16)10-9-13-7-3-4-8-13/h13H,1-12H2 |
| InChIKey | KJFXSTZAPPGJAU-UHFFFAOYSA-N |
| Molecular Weight | 260.805 g/mol |
| SMILES | C(CCC1CCCC1)(OCCCCCCCl)=O |