| SpectraBase Compound ID | 1vUhFIU3thd |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,8-9,11H,4,6-7,10H2,1,3H3/b9-8+ |
| InChIKey | BLTQCWAXHFORDG-CMDGGOBGSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCYO4Ir5qWk |
|---|---|
| Name | oct-3-Enoic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,8-9,11H,4,6-7,10H2,1,3H3/b9-8+ |
| InChIKey | BLTQCWAXHFORDG-CMDGGOBGSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(\C=C\CCCC)C(OC(C#C)C)=O |