| SpectraBase Compound ID | AsSB2klKiwA |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h7-8,10-11,13H,2-6,9,12H2,1H3 |
| InChIKey | WILTXRXNFRVELT-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 | 3W0wqgBDaCL |
|---|---|
| Name | 7-Cyclopenta-2,4-dienyl-heptanoic acid, ethyl 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/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h7-8,10-11,13H,2-6,9,12H2,1H3 |
| InChIKey | WILTXRXNFRVELT-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C(CCCCC(OCC)=O)CC1C=CC=C1 |