| SpectraBase Compound ID | 64m3FoSWKWu |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,11H,4,6-10H2,1,3H3 |
| InChIKey | JGTVWNZUWKACIY-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQGPX2WoSUx |
|---|---|
| Name | Octanoic 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 | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h2,11H,4,6-10H2,1,3H3 |
| InChIKey | JGTVWNZUWKACIY-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | CCCCCCCC(=O)OC(C#C)C |