| SpectraBase Compound ID | KabWpfIjf2F |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h10-13,15H,4-9,14H2,1-3H3/b12-10+,13-11+ |
| InChIKey | DHMLVAHJCQWZQK-DCIPZJNNSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DD2NsyKZct |
|---|---|
| Name | oct-3-Enoic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h10-13,15H,4-9,14H2,1-3H3/b12-10+,13-11+ |
| InChIKey | DHMLVAHJCQWZQK-DCIPZJNNSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(\C=C\CCCC)C(OC(\C=C\CCCC)C)=O |