![8-[3-oxo-2-(Pent-2-en-1-yl)cyclopent-4-enyl]oct-6-ynoic acid](/api/spectrum/tfgPG9QMDp/structure.png?h=300&w=458 "8-[3-oxo-2-(Pent-2-en-1-yl)cyclopent-4-enyl]oct-6-ynoic acid")
| SpectraBase Compound ID | KMwBs53CaVx |
|---|---|
| InChI | InChI=1S/C18H24O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4,6,9-12H2,1H3,(H,20,21)/b7-3+ |
| InChIKey | POGJZDRALWXUPR-XVNBXDOJSA-N |
| Mol Weight | 288.39 g/mol |
| Molecular Formula | C18H24O3 |
| Exact Mass | 288.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tfgPG9QMDp |
|---|---|
| Name | 8-[3-oxo-2-(Pent-2-en-1-yl)cyclopent-4-enyl]oct-6-ynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.172544630 u |
| Formula | C18H24O3 |
| InChI | InChI=1S/C18H24O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4,6,9-12H2,1H3,(H,20,21)/b7-3+ |
| InChIKey | POGJZDRALWXUPR-XVNBXDOJSA-N |
| SMILES | C1=CC(=O)C(C1CC#CCCCCC(=O)O)C\C=C\CC |