| SpectraBase Compound ID | DWqoCKrN6Xm |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-3-5-7-13-10(12)8-9(11)6-4-2/h4,6-8H2,1-2H3 |
| InChIKey | GZUKEUSCQAQUDN-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KHbQqur7y1 |
|---|---|
| Name | but-2-Ynyl 3-oxohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c1-3-5-7-13-10(12)8-9(11)6-4-2/h4,6-8H2,1-2H3 |
| InChIKey | GZUKEUSCQAQUDN-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C(CC(CCC)=O)(=O)OCC#CC |