| SpectraBase Compound ID | 2Ngj0Iiu0vw |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-4-9(3)15-11(13)8-6-7-10(12)14-5-2/h1,9H,5-8H2,2-3H3 |
| InChIKey | OYNRAJCEBASJIZ-UHFFFAOYSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JE60nbHAYLu |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-4-9(3)15-11(13)8-6-7-10(12)14-5-2/h1,9H,5-8H2,2-3H3 |
| InChIKey | OYNRAJCEBASJIZ-UHFFFAOYSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C#CC(OC(CCCC(OCC)=O)=O)C |