| SpectraBase Compound ID | EMIqeVJXSdQ |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3 |
| InChIKey | AEMFZMBOZXJUPC-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3k2LQCfhhOR |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2-octyl 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/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3 |
| InChIKey | AEMFZMBOZXJUPC-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | CC(OC(CCC1CCCC1)=O)CCCCCC |