| SpectraBase Compound ID | A6tRYbTQWKn |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-24-20(22)17-15-16-19(21)23-4-2/h3-12,15-18H2,1-2H3 |
| InChIKey | DBIPYAFNVFGNEN-UHFFFAOYSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95FceIkKYdH |
|---|---|
| Name | Glutaric acid, ethyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-24-20(22)17-15-16-19(21)23-4-2/h3-12,15-18H2,1-2H3 |
| InChIKey | DBIPYAFNVFGNEN-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | CCCCCCCCCCC#CCOC(CCCC(OCC)=O)=O |