| SpectraBase Compound ID | 3zKMdd2OvFy |
|---|---|
| InChI | InChI=1S/C18H28O4/c19-17-13-9-5-2-1-3-7-11-15-21-18(20)14-10-6-4-8-12-16-22-17/h9-10,13-14H,1-8,11-12,15-16H2/b13-9+,14-10+ |
| InChIKey | FKNITEXCJLXCNB-UTLPMFLDSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUTW1Z6GioV |
|---|---|
| Name | (2E,11E)-Octadeca-2,11-diene-1,10-diolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c19-17-13-9-5-2-1-3-7-11-15-21-18(20)14-10-6-4-8-12-16-22-17/h9-10,13-14H,1-8,11-12,15-16H2/b13-9+,14-10+ |
| InChIKey | FKNITEXCJLXCNB-UTLPMFLDSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C1(OCCCCC\C=C\C(=O)OCCCCCCC\C=C\1)=O |