| SpectraBase Compound ID | 9fBoP82Hmbc |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-6-7-11-18(15-17(4)5)24-20(22)13-8-12-19(21)23-14-9-10-16(2)3/h16-18H,6,8-10,12-15H2,1-5H3 |
| InChIKey | TVOQNVJJRLZJCU-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 | Ek8lcwnS6fc |
|---|---|
| Name | Glutaric acid, isohexyl 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/c1-6-7-11-18(15-17(4)5)24-20(22)13-8-12-19(21)23-14-9-10-16(2)3/h16-18H,6,8-10,12-15H2,1-5H3 |
| InChIKey | TVOQNVJJRLZJCU-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | CC(CC(OC(CCCC(OCCCC(C)C)=O)=O)C#CCC)C |