| SpectraBase Compound ID | GdxbnpRfzcK |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-6-7-14-23-19(21)10-8-9-11-20(22)24-18(15-17(4)5)13-12-16(2)3/h17-18H,2,6-11,14-15H2,1,3-5H3 |
| InChIKey | DQHWSTHDUHCPIC-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 | 9Ug0JoEpTGz |
|---|---|
| Name | Adipic acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl 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/c1-6-7-14-23-19(21)10-8-9-11-20(22)24-18(15-17(4)5)13-12-16(2)3/h17-18H,2,6-11,14-15H2,1,3-5H3 |
| InChIKey | DQHWSTHDUHCPIC-UHFFFAOYSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C(C(=O)OC(C#CC(=C)C)CC(C)C)CCCC(OCCCC)=O |