| SpectraBase Compound ID | 95l6zurIKyK |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h8-9H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | MWCHBSQCJMCJEN-CMDGGOBGSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbC8B0sEEJs |
|---|---|
| Name | 2-Heptenoic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h8-9H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | MWCHBSQCJMCJEN-CMDGGOBGSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(\C=C\C(OCCCC)=O)CCC |