| SpectraBase Compound ID | 81plrQi2L6J |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-6-8-10-11-17(5)23-19(21)13-14-20(22)24-18(12-9-7-2)15-16(3)4/h16-18H,6-8,10-11,13-15H2,1-5H3 |
| InChIKey | IEDKXTWAMZZBNQ-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 | 3BiuqkB7SVK |
|---|---|
| Name | Succinic acid, hept-2-yl 2-methyloct-5-yn-4-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/c1-6-8-10-11-17(5)23-19(21)13-14-20(22)24-18(12-9-7-2)15-16(3)4/h16-18H,6-8,10-11,13-15H2,1-5H3 |
| InChIKey | IEDKXTWAMZZBNQ-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC(CC(C)C)C#CCC)=O |