| SpectraBase Compound ID | LawbqXi5VDH |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-5-7-8-9-13-18(6-2)24-20(22)15-10-14-19(21)23-16-11-12-17(3)4/h17-18H,5-7,10-16H2,1-4H3 |
| InChIKey | PWDRKGHLSNYBOD-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 | 6al4OST4023 |
|---|---|
| Name | Glutaric acid, isohexyl 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/c1-5-7-8-9-13-18(6-2)24-20(22)15-10-14-19(21)23-16-11-12-17(3)4/h17-18H,5-7,10-16H2,1-4H3 |
| InChIKey | PWDRKGHLSNYBOD-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(C#CCC(OC(CCCC(OCCCC(C)C)=O)=O)CC)CC |