| SpectraBase Compound ID | 3ENWPLxRc4q |
|---|---|
| InChI | InChI=1S/C20H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-19(21)14-15-20(22)25-18-17-23-2/h3-11,14-18H2,1-2H3 |
| InChIKey | JYLHQPOKHROYDH-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H34O5 |
| Exact Mass | 354.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91jvm8cE0YJ |
|---|---|
| Name | Succinic acid, tridec-2-yn-1-yl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.240624190 u |
| Formula | C20H34O5 |
| InChI | InChI=1S/C20H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-19(21)14-15-20(22)25-18-17-23-2/h3-11,14-18H2,1-2H3 |
| InChIKey | JYLHQPOKHROYDH-UHFFFAOYSA-N |
| Molecular Weight | 354.487 g/mol |
| SMILES | C(CC(OCC#CCCCCCCCCCC)=O)C(OCCOC)=O |