| SpectraBase Compound ID | 25mzjlXVP9s |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h11,13H,3-10,12,14H2,1-2H3/b13-11+ |
| InChIKey | GGGUDHOEWILFKY-ACCUITESSA-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 | AgwRKMOyQ5X |
|---|---|
| Name | 2-Heptenoic acid, octyl 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/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h11,13H,3-10,12,14H2,1-2H3/b13-11+ |
| InChIKey | GGGUDHOEWILFKY-ACCUITESSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCC)=O)CCC |