| SpectraBase Compound ID | Ecq8HaeiXly |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-4-7-9-10-12-15(16)17-13-14(6-3)11-8-5-2/h10,12,14H,4-9,11,13H2,1-3H3/b12-10+ |
| InChIKey | VYTXNOZINPENJS-ZRDIBKRKSA-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 | 36fjhEYYfCs |
|---|---|
| Name | 2-Heptenoic acid, 2-ethylhexyl 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/c1-4-7-9-10-12-15(16)17-13-14(6-3)11-8-5-2/h10,12,14H,4-9,11,13H2,1-3H3/b12-10+ |
| InChIKey | VYTXNOZINPENJS-ZRDIBKRKSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | C(\C=C\C(OCC(CCCC)CC)=O)CCC |