| SpectraBase Compound ID | CQ5cTJX6JGY |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3/b9-6+ |
| InChIKey | RVRMKAKPHWJDJO-RMKNXTFCSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMfwSsOijEY |
|---|---|
| Name | 3-Cyclopentylpropionic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3/b9-6+ |
| InChIKey | RVRMKAKPHWJDJO-RMKNXTFCSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(=O)(OC(\C=C\CCCC)C)CCC1CCCC1 |