| SpectraBase Compound ID | LRFp2AKRGo6 |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h10,12H,3-9,11,13H2,1-2H3/b12-10+ |
| InChIKey | LJRHZKSNJRIQHU-ZRDIBKRKSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QSq575z2aw |
|---|---|
| Name | 2-Heptenoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h10,12H,3-9,11,13H2,1-2H3/b12-10+ |
| InChIKey | LJRHZKSNJRIQHU-ZRDIBKRKSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C(\C=C\C(OCCCCCCC)=O)CCC |