| SpectraBase Compound ID | GVriExUeTHo |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-5-8-10-12-14-18(7-3)24-20(22)16-15-19(21)23-17(4)13-11-9-6-2/h17-18H,5-9,11,13-16H2,1-4H3 |
| InChIKey | LEKAPEVZYQOVNG-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 | He5d55VwKNi |
|---|---|
| Name | Succinic acid, hept-2-yl non-5-yn-3-yl 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/c1-5-8-10-12-14-18(7-3)24-20(22)16-15-19(21)23-17(4)13-11-9-6-2/h17-18H,5-9,11,13-16H2,1-4H3 |
| InChIKey | LEKAPEVZYQOVNG-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC(CC#CCCC)CC)=O |