| SpectraBase Compound ID | DRQjosISERr |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-5-18(4)24-20(22)15-11-9-7-6-8-10-14-19(21)23-16-12-13-17(2)3/h1,17-18H,6-16H2,2-4H3 |
| InChIKey | AOCYHYCWKKKTCX-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 | Ly1NbL8lwRv |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl isohexyl 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/c1-5-18(4)24-20(22)15-11-9-7-6-8-10-14-19(21)23-16-12-13-17(2)3/h1,17-18H,6-16H2,2-4H3 |
| InChIKey | AOCYHYCWKKKTCX-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCC(C)C)=O)=O)(C#C)C |