| SpectraBase Compound ID | J9ef3FxkYo5 |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-6-8-16-24-20(22)12-9-10-13-21(23)25-19(15-14-17(3)4)18(5)11-7-2/h18-19H,3,6-13,16H2,1-2,4-5H3 |
| InChIKey | LKXDNPOZFBPMNL-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fizyfzfb8pS |
|---|---|
| Name | Adipic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.245709571 u |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-6-8-16-24-20(22)12-9-10-13-21(23)25-19(15-14-17(3)4)18(5)11-7-2/h18-19H,3,6-13,16H2,1-2,4-5H3 |
| InChIKey | LKXDNPOZFBPMNL-UHFFFAOYSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | C(C(C(OC(=O)CCCCC(OCCCC)=O)C#CC(=C)C)C)CC |