| SpectraBase Compound ID | 6LcimGytBIH |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-7-9-13(15)17-11(3)5-2/h2,11H,4,6-10H2,1,3H3 |
| InChIKey | ASVRPQCLPQTIBM-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBjxxBbr52b |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-7-9-13(15)17-11(3)5-2/h2,11H,4,6-10H2,1,3H3 |
| InChIKey | ASVRPQCLPQTIBM-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C#CC(OC(CCCC(OCCCC)=O)=O)C |