| SpectraBase Compound ID | g8pDWSCfM1 |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-7-9-17(6)18(13-12-15(2)3)24-20(22)11-8-10-19(21)23-14-16(4)5/h16-18H,2,7-11,14H2,1,3-6H3 |
| InChIKey | JYJVOFSLLWWLHJ-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEDQa7BFhdo |
|---|---|
| Name | Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-7-9-17(6)18(13-12-15(2)3)24-20(22)11-8-10-19(21)23-14-16(4)5/h16-18H,2,7-11,14H2,1,3-6H3 |
| InChIKey | JYJVOFSLLWWLHJ-UHFFFAOYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C=C(C#CC(OC(CCCC(OCC(C)C)=O)=O)C(CCC)C)C |