| SpectraBase Compound ID | Jzk8aQeE2T6 |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-3-5-8-14(4-2)13-18-16(17)12-11-15-9-6-7-10-15/h14-15H,3-13H2,1-2H3 |
| InChIKey | YYJAOOCQAQLWFR-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWuF8zm9HhN |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-3-5-8-14(4-2)13-18-16(17)12-11-15-9-6-7-10-15/h14-15H,3-13H2,1-2H3 |
| InChIKey | YYJAOOCQAQLWFR-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(OC(CCC1CCCC1)=O)C(CCCC)CC |