| SpectraBase Compound ID | Jap7BCcbMmw |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-15(2)11-12-18(13-16(3)4)24-20(22)10-8-7-9-19(21)23-14-17(5)6/h16-18H,1,7-10,13-14H2,2-6H3 |
| InChIKey | QLXGRAYRGDQJBU-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 | LME9MuSANPY |
|---|---|
| Name | Adipic acid, 2,7-dimethyloct-5-yn-7-en-4-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/c1-15(2)11-12-18(13-16(3)4)24-20(22)10-8-7-9-19(21)23-14-17(5)6/h16-18H,1,7-10,13-14H2,2-6H3 |
| InChIKey | QLXGRAYRGDQJBU-UHFFFAOYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C(CC(=O)OC(C#CC(=C)C)CC(C)C)CCC(OCC(C)C)=O |