| SpectraBase Compound ID | D1smOYiLBKz |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-14H2,1-2H3/b11-9+ |
| InChIKey | UVNAAJIDJCCSLH-PKNBQFBNSA-N |
| Mol Weight | 240.39 g/mol |
| Molecular Formula | C15H28O2 |
| Exact Mass | 240.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qoqtEYNfuk |
|---|---|
| Name | 3-Octenoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.208930140 u |
| Formula | C15H28O2 |
| InChI | InChI=1S/C15H28O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h9,11H,3-8,10,12-14H2,1-2H3/b11-9+ |
| InChIKey | UVNAAJIDJCCSLH-PKNBQFBNSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | C(\C=C\CCCC)C(OCCCCCCC)=O |