| SpectraBase Compound ID | BGx8UYRM2Fd |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-7-9-11-17(14-15(3)4)23-19(21)12-10-13-20(22)24-18(8-2)16(5)6/h15-18H,7-8,10,12-14H2,1-6H3 |
| InChIKey | HTNQDVJAKXIRAO-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 | KifKpKoeg91 |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-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/c1-7-9-11-17(14-15(3)4)23-19(21)12-10-13-20(22)24-18(8-2)16(5)6/h15-18H,7-8,10,12-14H2,1-6H3 |
| InChIKey | HTNQDVJAKXIRAO-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC(C#CCC)CC(C)C)=O |