| SpectraBase Compound ID | Eg5zqJOqRGE |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3-7,10H2,1-2H3 |
| InChIKey | MNBPSDLPXZMUOI-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyO9rhnkDon |
|---|---|
| Name | 3-Ketodec-4-ynoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3-7,10H2,1-2H3 |
| InChIKey | MNBPSDLPXZMUOI-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C(#CCCCCC)C(CC(=O)OCC)=O |