| SpectraBase Compound ID | JVARkKpjLdh |
|---|---|
| InChI | InChI=1S/C21H36O5/c1-3-5-6-7-8-9-10-11-12-13-14-17-25-20(22)15-16-21(23)26-19-18-24-4-2/h3-12,15-19H2,1-2H3 |
| InChIKey | CAFPMDPIWJWYQM-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C21H36O5 |
| Exact Mass | 368.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5BCvss20Km |
|---|---|
| Name | Succinic acid, tridec-2-yn-1-yl 2-ethoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.256274254 u |
| Formula | C21H36O5 |
| InChI | InChI=1S/C21H36O5/c1-3-5-6-7-8-9-10-11-12-13-14-17-25-20(22)15-16-21(23)26-19-18-24-4-2/h3-12,15-19H2,1-2H3 |
| InChIKey | CAFPMDPIWJWYQM-UHFFFAOYSA-N |
| Molecular Weight | 368.514 g/mol |
| SMILES | C(CC(OCC#CCCCCCCCCCC)=O)C(OCCOCC)=O |