| SpectraBase Compound ID | EgIIwCJHiVC |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-7-8-10-12(13)14-11(6-3)9-5-2/h11H,4,6-8,10H2,1-3H3 |
| InChIKey | CNUDSCLGVZDVQX-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 | E9h8582GOG1 |
|---|---|
| Name | Hexanoic 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 | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-4-7-8-10-12(13)14-11(6-3)9-5-2/h11H,4,6-8,10H2,1-3H3 |
| InChIKey | CNUDSCLGVZDVQX-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | CCCCCC(OC(CC)C#CC)=O |