| SpectraBase Compound ID | Il5NevVbJlJ |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h10,12H,3-9,11,13-15H2,1-2H3/b12-10+ |
| InChIKey | MNQYHLROFOHEGY-ZRDIBKRKSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJHxD8IdquF |
|---|---|
| Name | 3-Octenoic acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h10,12H,3-9,11,13-15H2,1-2H3/b12-10+ |
| InChIKey | MNQYHLROFOHEGY-ZRDIBKRKSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCC)=O |