| SpectraBase Compound ID | GnFn5BGDEnQ |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+ |
| InChIKey | DNXKABMLNDEGAE-OUKQBFOZSA-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 | DFJDRxS33Kb |
|---|---|
| Name | Valeric acid, undec-2-enyl 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/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+ |
| InChIKey | DNXKABMLNDEGAE-OUKQBFOZSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(=O)(OC\C=C\CCCCCCCC)CCCC |