| SpectraBase Compound ID | 3iTnC4MSNV8 |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-4-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(3)5-2/h2,18H,4,6-17H2,1,3H3 |
| InChIKey | JMFFYRMCXQYNSI-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 | FmMnQD9bJxD |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl undecyl 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/c1-4-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(3)5-2/h2,18H,4,6-17H2,1,3H3 |
| InChIKey | JMFFYRMCXQYNSI-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C#CC(OC(CCCC(OCCCCCCCCCCC)=O)=O)C |