| SpectraBase Compound ID | C5ARvkQUp6m |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-13(2,3)11(14)7-6-10-16-12-8-4-5-9-15-12/h12H,4-5,8-10H2,1-3H3 |
| InChIKey | XBBIRRFQCMDROQ-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RzfzN1jdgf |
|---|---|
| Name | 2,2-Dimethyl-6-(2-oxanyloxy)-4-hexyn-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-13(2,3)11(14)7-6-10-16-12-8-4-5-9-15-12/h12H,4-5,8-10H2,1-3H3 |
| InChIKey | XBBIRRFQCMDROQ-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | CC(C(C#CCOC1CCCCO1)=O)(C)C |