| SpectraBase Compound ID | Kz03S7Vpvar |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-4-8-11(5-2)17-13(15)10-7-9-12(14)16-6-3/h11H,5-7,9-10H2,1-3H3 |
| InChIKey | QZNNXROZCXVZBK-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 | AyiAD1jBmQK |
|---|---|
| Name | Glutaric acid, ethyl hex-4-yn-3-yl 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/c1-4-8-11(5-2)17-13(15)10-7-9-12(14)16-6-3/h11H,5-7,9-10H2,1-3H3 |
| InChIKey | QZNNXROZCXVZBK-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | CC#CC(OC(CCCC(OCC)=O)=O)CC |