| SpectraBase Compound ID | Dh0E7tKFNpz |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3/b11-9+ |
| InChIKey | KWYPTYVCRBYEPU-PKNBQFBNSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RedcZJzLqC |
|---|---|
| Name | 2-Heptenoic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3/b11-9+ |
| InChIKey | KWYPTYVCRBYEPU-PKNBQFBNSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(\C=C\C(OCCCCCC)=O)CCC |