| SpectraBase Compound ID | DbHFlKVYiGV |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-4-7-8-9-11-13(14)15-12(6-3)10-5-2/h9,11-12H,4,6-8H2,1-3H3/b11-9+ |
| InChIKey | KSIGYFRZAHVJIL-PKNBQFBNSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQlB6tYrL1y |
|---|---|
| Name | 2-Heptenoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-4-7-8-9-11-13(14)15-12(6-3)10-5-2/h9,11-12H,4,6-8H2,1-3H3/b11-9+ |
| InChIKey | KSIGYFRZAHVJIL-PKNBQFBNSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C(\C=C\CCCC)(OC(CC)C#CC)=O |