| SpectraBase Compound ID | 9tkCS5bv4Hw |
|---|---|
| InChI | InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-26-21(23)15-16-22(24)27-19-20-14-13-18-25-20/h20H,2-10,13-19H2,1H3 |
| InChIKey | QXYAPINBCKZTRJ-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H36O5 |
| Exact Mass | 380.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF8ECi9y6tq |
|---|---|
| Name | Succinic acid, tridec-2-yn-1-yl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.256274254 u |
| Formula | C22H36O5 |
| InChI | InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-26-21(23)15-16-22(24)27-19-20-14-13-18-25-20/h20H,2-10,13-19H2,1H3 |
| InChIKey | QXYAPINBCKZTRJ-UHFFFAOYSA-N |
| Molecular Weight | 380.525 g/mol |
| SMILES | C(CC(OCC#CCCCCCCCCCC)=O)C(OCC1OCCC1)=O |