| SpectraBase Compound ID | 1g3DbkICJpy |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-3-7-13(4-2)16-14(15)11-10-12-8-5-6-9-12/h12-13H,4-6,8-11H2,1-2H3 |
| InChIKey | BDPKCKWTSQVSMQ-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ncUoPi5RLJ |
|---|---|
| Name | 3-Cyclopentylpropionic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-3-7-13(4-2)16-14(15)11-10-12-8-5-6-9-12/h12-13H,4-6,8-11H2,1-2H3 |
| InChIKey | BDPKCKWTSQVSMQ-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C(=O)(OC(C#CC)CC)CCC1CCCC1 |